(1S)-2-(4-methylphenyl)sulfonyl-1-phenyl-2-azaspiro[3.6]decan-3-one

C22H25NO3S — CID 101161455

IUPAC(1S)-2-(4-methylphenyl)sulfonyl-1-phenyl-2-azaspiro[3.6]decan-3-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)C3(CCCCCC3)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H25NO3S/c1-17-11-13-19(14-12-17)27(25,26)23-20(18-9-5-4-6-10-18)22(21(23)24)15-7-2-3-8-16-22/h4-6,9-14,20H,2-3,7-8,15-16H2,1H3/t20-/m0/s1
InChIKeyUEDHVUNQDVZOGO-FQEVSTJZSA-N
MW383.51 g/mol
LogP4.61
Rot. Bonds3

About (1S)-2-(4-methylphenyl)sulfonyl-1-phenyl-2-azaspiro[3.6]decan-3-one

(1S)-2-(4-methylphenyl)sulfonyl-1-phenyl-2-azaspiro[3.6]decan-3-one (PubChem CID 101161455) has the molecular formula C22H25NO3S and a molecular weight of 383.51 g/mol. Its IUPAC name is (1S)-2-(4-methylphenyl)sulfonyl-1-phenyl-2-azaspiro[3.6]decan-3-one.

Molecular Properties

Compound Name(1S)-2-(4-methylphenyl)sulfonyl-1-phenyl-2-azaspiro[3.6]decan-3-one
PubChem CID101161455
Molecular FormulaC22H25NO3S
Molecular Weight383.51 g/mol
Exact Mass383.16
IUPAC Name(1S)-2-(4-methylphenyl)sulfonyl-1-phenyl-2-azaspiro[3.6]decan-3-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)C3(CCCCCC3)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H25NO3S/c1-17-11-13-19(14-12-17)27(25,26)23-20(18-9-5-4-6-10-18)22(21(23)24)15-7-2-3-8-16-22/h4-6,9-14,20H,2-3,7-8,15-16H2,1H3/t20-/m0/s1
InChIKeyUEDHVUNQDVZOGO-FQEVSTJZSA-N
XLogP4.61
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)sulfonyl-4-phenyl-1-azaspiro[4.6]undecane
CID 11234463
(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyridin-6-one
CID 122228868
(4R)-3,3-dichloro-5-cyclohexylsulfanyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one
CID 134919162
(2S)-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenylaziridine-2-carbaldehyde
CID 58434618
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
(1R,4aS,8aR)-4a-chloro-2-(4-methylphenyl)sulfonyl-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 11889048
(5S,10S)-9-(4-methylphenyl)sulfonyl-10-phenyl-1-oxa-9-azaspiro[4.5]deca-3,6-diene
CID 11405951
2-(4-methylphenyl)sulfonyl-3-phenyl-3H-isoindol-1-one
CID 132940992
methyl 3-benzyl-1-(4-methylphenyl)sulfonyl-5-oxo-2-phenylpyrrolidine-3-carboxylate
CID 134854079
5-ethyl-1-(4-methylphenyl)sulfonyl-3,3-diphenylpyrrolidin-2-one
CID 134958502
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
[(3R,4R)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]methanamine
CID 120765992

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(4-methylphenyl)sulfonyl-1-phenyl-2-azaspiro[3.6]decan-3-one?
The IUPAC name of (1S)-2-(4-methylphenyl)sulfonyl-1-phenyl-2-azaspiro[3.6]decan-3-one (CID 101161455) is (1S)-2-(4-methylphenyl)sulfonyl-1-phenyl-2-azaspiro[3.6]decan-3-one.
What is the SMILES notation for (1S)-2-(4-methylphenyl)sulfonyl-1-phenyl-2-azaspiro[3.6]decan-3-one?
The canonical SMILES for (1S)-2-(4-methylphenyl)sulfonyl-1-phenyl-2-azaspiro[3.6]decan-3-one is Cc1ccc(S(=O)(=O)N2C(=O)C3(CCCCCC3)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (1S)-2-(4-methylphenyl)sulfonyl-1-phenyl-2-azaspiro[3.6]decan-3-one?
The InChIKey is UEDHVUNQDVZOGO-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25NO3S/c1-17-11-13-19(14-12-17)27(25,26)23-20(18-9-5-4-6-10-18)22(21(23)24)15-7-2-3-8-16-22/h4-6,9-14,20H,2-3,7-8,15-16H2,1H3/t20-/m0/s1.
What are the key properties of (1S)-2-(4-methylphenyl)sulfonyl-1-phenyl-2-azaspiro[3.6]decan-3-one?
(1S)-2-(4-methylphenyl)sulfonyl-1-phenyl-2-azaspiro[3.6]decan-3-one has a molecular weight of 383.51 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(4-methylphenyl)sulfonyl-1-phenyl-2-azaspiro[3.6]decan-3-one is sourced from PubChem (CID 101161455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).