(3R)-8-(2-methylsulfanylacetyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C17H22N2O2S — CID 97210266

IUPAC(3R)-8-(2-methylsulfanylacetyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCSCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2
InChIInChI=1S/C17H22N2O2S/c1-22-12-15(20)19-9-7-17(8-10-19)11-14(16(21)18-17)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,18,21)/t14-/m1/s1
InChIKeyCCNHKJYTLBWMKI-CQSZACIVSA-N
MW318.44 g/mol
LogP2.01
Rot. Bonds3

About (3R)-8-(2-methylsulfanylacetyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

(3R)-8-(2-methylsulfanylacetyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97210266) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is (3R)-8-(2-methylsulfanylacetyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3R)-8-(2-methylsulfanylacetyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97210266
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name(3R)-8-(2-methylsulfanylacetyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCSCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2
InChIInChI=1S/C17H22N2O2S/c1-22-12-15(20)19-9-7-17(8-10-19)11-14(16(21)18-17)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,18,21)/t14-/m1/s1
InChIKeyCCNHKJYTLBWMKI-CQSZACIVSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-8-(2-methylsulfanylacetyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-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

(3R)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97191134
8-(morpholine-4-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 134074619
N-cyclopropyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 131640713
8-(3-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72865421
(3S)-8-(2-ethylpyrimidine-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97190010
(3R)-8-[(2-methylsulfanylphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97190791
(3R)-8-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97203710
(3S)-3-phenyl-8-(1-propan-2-ylpyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97205646
8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134072421
(3S)-8-(4-methyl-1,3-thiazole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97203748
(3R)-8-(3-methoxybenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97207184
3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 134072386

Frequently Asked Questions

What is the IUPAC name of (3R)-8-(2-methylsulfanylacetyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3R)-8-(2-methylsulfanylacetyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 97210266) is (3R)-8-(2-methylsulfanylacetyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3R)-8-(2-methylsulfanylacetyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3R)-8-(2-methylsulfanylacetyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is CSCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2.
What is the InChIKey of (3R)-8-(2-methylsulfanylacetyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is CCNHKJYTLBWMKI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-22-12-15(20)19-9-7-17(8-10-19)11-14(16(21)18-17)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,18,21)/t14-/m1/s1.
What are the key properties of (3R)-8-(2-methylsulfanylacetyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
(3R)-8-(2-methylsulfanylacetyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 318.44 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-(2-methylsulfanylacetyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97210266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).