7-(2-cyclohexylethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one

C19H32N2O2S — CID 45226798

IUPAC7-(2-cyclohexylethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCSCC(=O)N1CCC2(CCCN(CCC3CCCCC3)C2=O)C1
InChIInChI=1S/C19H32N2O2S/c1-24-14-17(22)21-13-10-19(15-21)9-5-11-20(18(19)23)12-8-16-6-3-2-4-7-16/h16H,2-15H2,1H3
InChIKeySLNYFUYKVFXNGO-UHFFFAOYSA-N
MW352.54 g/mol
LogP3.16
Rot. Bonds5

About 7-(2-cyclohexylethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one

7-(2-cyclohexylethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45226798) has the molecular formula C19H32N2O2S and a molecular weight of 352.54 g/mol. Its IUPAC name is 7-(2-cyclohexylethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-cyclohexylethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45226798
Molecular FormulaC19H32N2O2S
Molecular Weight352.54 g/mol
Exact Mass352.22
IUPAC Name7-(2-cyclohexylethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCSCC(=O)N1CCC2(CCCN(CCC3CCCCC3)C2=O)C1
InChIInChI=1S/C19H32N2O2S/c1-24-14-17(22)21-13-10-19(15-21)9-5-11-20(18(19)23)12-8-16-6-3-2-4-7-16/h16H,2-15H2,1H3
InChIKeySLNYFUYKVFXNGO-UHFFFAOYSA-N
XLogP3.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.54
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(2-cyclohexylethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one 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-(2-cyclohexylethyl)-2-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126436472
(5R)-7-(2-cyclohexylethyl)-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25453422
(5S)-7-(2-cyclohexylethyl)-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25453417
(5S)-7-(2-cyclohexylethyl)-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 42465599
N-[2-[(5S)-7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]acetamide
CID 26405192
7-(2-cyclohexylethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 45212678
(5R)-7-(cyclobutylmethyl)-2-[2-(2-oxoazepan-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97137057
7-(cyclobutylmethyl)-2-(2-pyrimidin-2-ylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72898239
7-(cyclohexylmethyl)-2-(3-pyrazol-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45225712
(5S)-7-(cyclobutylmethyl)-2-(3-hydroxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127422
(5S)-7-[(2,3-difluorophenyl)methyl]-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25454216
(5R)-7-(cyclopropylmethyl)-2-[3-(2-ethylimidazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126424303

Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclohexylethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-cyclohexylethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45226798) is 7-(2-cyclohexylethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-cyclohexylethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-cyclohexylethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one is CSCC(=O)N1CCC2(CCCN(CCC3CCCCC3)C2=O)C1.
What is the InChIKey of 7-(2-cyclohexylethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is SLNYFUYKVFXNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2S/c1-24-14-17(22)21-13-10-19(15-21)9-5-11-20(18(19)23)12-8-16-6-3-2-4-7-16/h16H,2-15H2,1H3.
What are the key properties of 7-(2-cyclohexylethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(2-cyclohexylethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 352.54 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclohexylethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45226798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).