tert-butyl 4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane

C55H87N7O16S2 — CID 159971484

About tert-butyl 4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane

tert-butyl 4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane (PubChem CID 159971484) has the molecular formula C55H87N7O16S2 and a molecular weight of 1166.47 g/mol. Its IUPAC name is tert-butyl 4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane.

Molecular Properties

• Compound Name: tert-butyl 4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane
• PubChem CID: 159971484
• Molecular Formula: C55H87N7O16S2
• Molecular Weight: 1166.47 g/mol
• Exact Mass: 1165.57
• IUPAC Name: tert-butyl 4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane
• SMILES: CC(C)(C)OC(=O)N1CCCC(=O)C1.CC(C)(C)OC(=O)N1CCCC2(C1)NCCO2.COc1ccc(S(=O)(=O)N2CCOC23CCCN(C(=O)OC(C)(C)C)C3)cc1.COc1ccc(S(=O)(=O)N2CCOC23CCCNC3)cc1
• InChI: InChI=1S/C19H28N2O6S.C14H20N2O4S.C12H22N2O3.C10H17NO3/c1-18(2,3)27-17(22)20-11-5-10-19(14-20)21(12-13-26-19)28(23,24)16-8-6-15(25-4)7-9-16;1-19-12-3-5-13(6-4-12)21(17,18)16-9-10-20-14(16)7-2-8-15-11-14;1-11(2,3)17-10(15)14-7-4-5-12(9-14)13-6-8-16-12;1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h6-9H,5,10-14H2,1-4H3;3-6,15H,2,7-11H2,1H3;13H,4-9H2,1-3H3;4-7H2,1-3H3
• InChIKey: OEPIBOOUWPPMLD-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 250.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1166.47
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane?

The IUPAC name of tert-butyl 4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane (CID 159971484) is tert-butyl 4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane.

What is the SMILES notation for tert-butyl 4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane?

The canonical SMILES for tert-butyl 4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane is CC(C)(C)OC(=O)N1CCCC(=O)C1.CC(C)(C)OC(=O)N1CCCC2(C1)NCCO2.COc1ccc(S(=O)(=O)N2CCOC23CCCN(C(=O)OC(C)(C)C)C3)cc1.COc1ccc(S(=O)(=O)N2CCOC23CCCNC3)cc1.

What is the InChIKey of tert-butyl 4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane?

The InChIKey is OEPIBOOUWPPMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O6S.C14H20N2O4S.C12H22N2O3.C10H17NO3/c1-18(2,3)27-17(22)20-11-5-10-19(14-20)21(12-13-26-19)28(23,24)16-8-6-15(25-4)7-9-16;1-19-12-3-5-13(6-4-12)21(17,18)16-9-10-20-14(16)7-2-8-15-11-14;1-11(2,3)17-10(15)14-7-4-5-12(9-14)13-6-8-16-12;1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h6-9H,5,10-14H2,1-4H3;3-6,15H,2,7-11H2,1H3;13H,4-9H2,1-3H3;4-7H2,1-3H3.

What are the key properties of tert-butyl 4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane?

tert-butyl 4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane has a molecular weight of 1166.47 g/mol, XLogP of 6.16, 6 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 1-oxa-4,9-diazaspiro[4.5]decane-9-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[4.5]decane is sourced from PubChem (CID 159971484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).