(5S)-7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide

C17H31N3O3S — CID 42508379

IUPAC(5S)-7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1
InChIInChI=1S/C17H31N3O3S/c1-18(2)24(22,23)20-12-10-17(14-20)9-6-11-19(16(17)21)13-15-7-4-3-5-8-15/h15H,3-14H2,1-2H3/t17-/m0/s1
InChIKeyBMZKOHRCXWISBL-KRWDZBQOSA-N
MW357.52 g/mol
LogP1.69
Rot. Bonds4

About (5S)-7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide

(5S)-7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide (PubChem CID 42508379) has the molecular formula C17H31N3O3S and a molecular weight of 357.52 g/mol. Its IUPAC name is (5S)-7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide.

Molecular Properties

Compound Name(5S)-7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
PubChem CID42508379
Molecular FormulaC17H31N3O3S
Molecular Weight357.52 g/mol
Exact Mass357.21
IUPAC Name(5S)-7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1
InChIInChI=1S/C17H31N3O3S/c1-18(2)24(22,23)20-12-10-17(14-20)9-6-11-19(16(17)21)13-15-7-4-3-5-8-15/h15H,3-14H2,1-2H3/t17-/m0/s1
InChIKeyBMZKOHRCXWISBL-KRWDZBQOSA-N
XLogP1.69
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 97118141
7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 72858775
(5S)-7-(2-cyclohexylethyl)-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 42465599
(5S)-7-(cyclobutylmethyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 95724261
2-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-cyclohexyl-N-methylacetamide
CID 72866271
(5R)-7-(cyclobutylmethyl)-2-(2-ethylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 97116530
N-[2-[(5S)-7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]acetamide
CID 26405192
(5S)-7-(cyclohexylmethyl)-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 42556979
5-[[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione
CID 97137628
N,N-dimethyl-1-oxo-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-sulfonamide
CID 155878552
(5S)-7-(cyclobutylmethyl)-2-(1-methylpiperidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 25313167
(5S)-7-(cyclobutylmethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195518

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide?
The IUPAC name of (5S)-7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide (CID 42508379) is (5S)-7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide.
What is the SMILES notation for (5S)-7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide?
The canonical SMILES for (5S)-7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide is CN(C)S(=O)(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1.
What is the InChIKey of (5S)-7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide?
The InChIKey is BMZKOHRCXWISBL-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H31N3O3S/c1-18(2)24(22,23)20-12-10-17(14-20)9-6-11-19(16(17)21)13-15-7-4-3-5-8-15/h15H,3-14H2,1-2H3/t17-/m0/s1.
What are the key properties of (5S)-7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide?
(5S)-7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide has a molecular weight of 357.52 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide is sourced from PubChem (CID 42508379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).