cyclohexyl-(8-naphthalen-1-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone

C24H30N2O3S2 — CID 4021529

IUPACcyclohexyl-(8-naphthalen-1-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone
SMILESO=C(C1CCCCC1)N1CCSC12CCN(S(=O)(=O)c1cccc3ccccc13)CC2
InChIInChI=1S/C24H30N2O3S2/c27-23(20-8-2-1-3-9-20)26-17-18-30-24(26)13-15-25(16-14-24)31(28,29)22-12-6-10-19-7-4-5-11-21(19)22/h4-7,10-12,20H,1-3,8-9,13-18H2
InChIKeySLJHUCRPLZJTPN-UHFFFAOYSA-N
MW458.65 g/mol
LogP4.48
Rot. Bonds3

About cyclohexyl-(8-naphthalen-1-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone

cyclohexyl-(8-naphthalen-1-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone (PubChem CID 4021529) has the molecular formula C24H30N2O3S2 and a molecular weight of 458.65 g/mol. Its IUPAC name is cyclohexyl-(8-naphthalen-1-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(8-naphthalen-1-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone
PubChem CID4021529
Molecular FormulaC24H30N2O3S2
Molecular Weight458.65 g/mol
Exact Mass458.17
IUPAC Namecyclohexyl-(8-naphthalen-1-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone
SMILESO=C(C1CCCCC1)N1CCSC12CCN(S(=O)(=O)c1cccc3ccccc13)CC2
InChIInChI=1S/C24H30N2O3S2/c27-23(20-8-2-1-3-9-20)26-17-18-30-24(26)13-15-25(16-14-24)31(28,29)22-12-6-10-19-7-4-5-11-21(19)22/h4-7,10-12,20H,1-3,8-9,13-18H2
InChIKeySLJHUCRPLZJTPN-UHFFFAOYSA-N
XLogP4.48
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.65
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclohexyl-(8-naphthalen-1-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone with MolForge

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Related Compounds

[8-(4-tert-butylphenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-cyclohexylmethanone
CID 3533037
cyclopentyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
CID 24945401
(3-fluorophenyl)-(8-naphthalen-1-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone
CID 3398412
1-[4-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-3-phenylprop-2-en-1-one
CID 4031387
N-[(1R,2R)-2-benzamidocyclohexyl]-1-naphthalen-1-ylsulfonylpiperidine-4-carboxamide
CID 51071217
1-naphthalen-1-ylsulfonylazetidine-3-carboxylic acid
CID 114533548
2-[4-(2,2-dimethylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylbenzoic acid
CID 119185566
furan-2-yl-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone
CID 3958956
1-naphthalen-1-ylsulfonylpiperazine
CID 42626101
2-[4-(4-hydroxy-1-naphthalen-1-ylsulfonylpiperidin-4-yl)phenoxy]acetic acid
CID 139619035
(8-naphthalen-2-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)-(3-nitrophenyl)methanone
CID 3566941
4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine
CID 90589478

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(8-naphthalen-1-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone?
The IUPAC name of cyclohexyl-(8-naphthalen-1-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone (CID 4021529) is cyclohexyl-(8-naphthalen-1-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone.
What is the SMILES notation for cyclohexyl-(8-naphthalen-1-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone?
The canonical SMILES for cyclohexyl-(8-naphthalen-1-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone is O=C(C1CCCCC1)N1CCSC12CCN(S(=O)(=O)c1cccc3ccccc13)CC2.
What is the InChIKey of cyclohexyl-(8-naphthalen-1-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone?
The InChIKey is SLJHUCRPLZJTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3S2/c27-23(20-8-2-1-3-9-20)26-17-18-30-24(26)13-15-25(16-14-24)31(28,29)22-12-6-10-19-7-4-5-11-21(19)22/h4-7,10-12,20H,1-3,8-9,13-18H2.
What are the key properties of cyclohexyl-(8-naphthalen-1-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone?
cyclohexyl-(8-naphthalen-1-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone has a molecular weight of 458.65 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(8-naphthalen-1-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone is sourced from PubChem (CID 4021529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).