1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-(1H-imidazol-5-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decane;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone

C99H137N15O22S6 — CID 159798694

About 1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-(1H-imidazol-5-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decane;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone

1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-(1H-imidazol-5-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decane;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone (PubChem CID 159798694) has the molecular formula C99H137N15O22S6 and a molecular weight of 2081.67 g/mol. Its IUPAC name is 1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-(1H-imidazol-5-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decane;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-(1H-imidazol-5-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decane;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone
• PubChem CID: 159798694
• Molecular Formula: C99H137N15O22S6
• Molecular Weight: 2081.67 g/mol
• Exact Mass: 2079.84
• IUPAC Name: 1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-(1H-imidazol-5-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decane;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone
• SMILES: CC(=O)c1ccc(C(=O)N2CCOC23CCNCC3)cc1.CC(=O)c1ccc(S(=O)(=O)N2C(CCCCN(C)C)COC23CCNCC3)cc1.CC(=O)c1ccc(S(=O)(=O)N2C(Cc3cnc[nH]3)COC23CCNCC3)cc1.CC(=O)c1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1.COc1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1.COc1ccc(S(=O)(=O)N2CCSC23CCNCC3)cc1
• InChI: InChI=1S/C21H33N3O4S.C19H24N4O4S.C16H20N2O3.C15H20N2O4S.C14H20N2O4S.C14H20N2O3S2/c1-17(25)18-7-9-20(10-8-18)29(26,27)24-19(6-4-5-15-23(2)3)16-28-21(24)11-13-22-14-12-21;1-14(24)15-2-4-18(5-3-15)28(25,26)23-17(10-16-11-21-13-22-16)12-27-19(23)6-8-20-9-7-19;1-12(19)13-2-4-14(5-3-13)15(20)18-10-11-21-16(18)6-8-17-9-7-16;1-12(18)13-2-4-14(5-3-13)22(19,20)17-10-11-21-15(17)6-8-16-9-7-15;2*1-19-12-2-4-13(5-3-12)21(17,18)16-10-11-20-14(16)6-8-15-9-7-14/h7-10,19,22H,4-6,11-16H2,1-3H3;2-5,11,13,17,20H,6-10,12H2,1H3,(H,21,22);2-5,17H,6-11H2,1H3;2-5,16H,6-11H2,1H3;2*2-5,15H,6-11H2,1H3
• InChIKey: NJMRNBIVBJGLKU-UHFFFAOYSA-N
• XLogP: 8.15
• TPSA: 444.20 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2081.67
LogP ≤ 5	8.15
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-(1H-imidazol-5-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decane;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone?

The IUPAC name of 1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-(1H-imidazol-5-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decane;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone (CID 159798694) is 1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-(1H-imidazol-5-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decane;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone.

What is the SMILES notation for 1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-(1H-imidazol-5-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decane;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone?

The canonical SMILES for 1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-(1H-imidazol-5-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decane;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone is CC(=O)c1ccc(C(=O)N2CCOC23CCNCC3)cc1.CC(=O)c1ccc(S(=O)(=O)N2C(CCCCN(C)C)COC23CCNCC3)cc1.CC(=O)c1ccc(S(=O)(=O)N2C(Cc3cnc[nH]3)COC23CCNCC3)cc1.CC(=O)c1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1.COc1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1.COc1ccc(S(=O)(=O)N2CCSC23CCNCC3)cc1.

What is the InChIKey of 1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-(1H-imidazol-5-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decane;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone?

The InChIKey is NJMRNBIVBJGLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4S.C19H24N4O4S.C16H20N2O3.C15H20N2O4S.C14H20N2O4S.C14H20N2O3S2/c1-17(25)18-7-9-20(10-8-18)29(26,27)24-19(6-4-5-15-23(2)3)16-28-21(24)11-13-22-14-12-21;1-14(24)15-2-4-18(5-3-15)28(25,26)23-17(10-16-11-21-13-22-16)12-27-19(23)6-8-20-9-7-19;1-12(19)13-2-4-14(5-3-13)15(20)18-10-11-21-16(18)6-8-17-9-7-16;1-12(18)13-2-4-14(5-3-13)22(19,20)17-10-11-21-15(17)6-8-16-9-7-15;2*1-19-12-2-4-13(5-3-12)21(17,18)16-10-11-20-14(16)6-8-15-9-7-14/h7-10,19,22H,4-6,11-16H2,1-3H3;2-5,11,13,17,20H,6-10,12H2,1H3,(H,21,22);2-5,17H,6-11H2,1H3;2-5,16H,6-11H2,1H3;2*2-5,15H,6-11H2,1H3.

What are the key properties of 1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-(1H-imidazol-5-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decane;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone?

1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-(1H-imidazol-5-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decane;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone has a molecular weight of 2081.67 g/mol, XLogP of 8.15, 24 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-(1H-imidazol-5-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decane;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone is sourced from PubChem (CID 159798694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).