2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one

C15H21NO3S2 — CID 79539732

IUPAC2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one
SMILESCc1ccc(S(=O)(=O)N2CCCC2C2CCCCC2=O)s1
InChIInChI=1S/C15H21NO3S2/c1-11-8-9-15(20-11)21(18,19)16-10-4-6-13(16)12-5-2-3-7-14(12)17/h8-9,12-13H,2-7,10H2,1H3
InChIKeyMVDJWDJVQUUJDV-UHFFFAOYSA-N
MW327.47 g/mol
LogP2.97
Rot. Bonds3

About 2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one

2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one (PubChem CID 79539732) has the molecular formula C15H21NO3S2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one
PubChem CID79539732
Molecular FormulaC15H21NO3S2
Molecular Weight327.47 g/mol
Exact Mass327.10
IUPAC Name2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one
SMILESCc1ccc(S(=O)(=O)N2CCCC2C2CCCCC2=O)s1
InChIInChI=1S/C15H21NO3S2/c1-11-8-9-15(20-11)21(18,19)16-10-4-6-13(16)12-5-2-3-7-14(12)17/h8-9,12-13H,2-7,10H2,1H3
InChIKeyMVDJWDJVQUUJDV-UHFFFAOYSA-N
XLogP2.97
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]cyclohexan-1-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

2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 103414732
2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]cyclopentan-1-one
CID 103414737
2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-one
CID 79546272
2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide
CID 104626564
2-[1-(benzenesulfonyl)piperidin-2-yl]cyclopentan-1-one
CID 79535712
2-[1-(3,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one
CID 136531002
N-cyclohexyl-N-methyl-2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide
CID 127864106
N-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 42943806
3-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]propanoic acid
CID 132970865
2-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one
CID 104709969
(2S)-2-[(2R)-1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one
CID 97319363
2-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)cyclohexan-1-one
CID 79539733

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one (CID 79539732) is 2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one is Cc1ccc(S(=O)(=O)N2CCCC2C2CCCCC2=O)s1.
What is the InChIKey of 2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one?
The InChIKey is MVDJWDJVQUUJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S2/c1-11-8-9-15(20-11)21(18,19)16-10-4-6-13(16)12-5-2-3-7-14(12)17/h8-9,12-13H,2-7,10H2,1H3.
What are the key properties of 2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one?
2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one has a molecular weight of 327.47 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79539732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).