2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide

C10H18N2O3S — CID 104626564

IUPAC2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCCC1C1CCCCC1=O
InChIInChI=1S/C10H18N2O3S/c11-16(14,15)12-7-3-5-9(12)8-4-1-2-6-10(8)13/h8-9H,1-7H2,(H2,11,14,15)
InChIKeyPTJWYXCMFWANTP-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.41
Rot. Bonds2

About 2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide

2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide (PubChem CID 104626564) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide
PubChem CID104626564
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCCC1C1CCCCC1=O
InChIInChI=1S/C10H18N2O3S/c11-16(14,15)12-7-3-5-9(12)8-4-1-2-6-10(8)13/h8-9H,1-7H2,(H2,11,14,15)
InChIKeyPTJWYXCMFWANTP-UHFFFAOYSA-N
XLogP0.41
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-one
CID 79546272
2-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)cyclohexan-1-one
CID 79539733
2-(1-cyclopentylsulfonylpiperidin-2-yl)cyclopentan-1-one
CID 105361187
N-cyclohexyl-N-methyl-2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide
CID 127864106
2-[1-(3,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one
CID 136531002
2-(1-propylsulfonylpyrrolidin-2-yl)cyclopentan-1-one
CID 79544242
2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]cyclopentan-1-one
CID 79545751
2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one
CID 79539732
2-[1-(benzenesulfonyl)piperidin-2-yl]cyclopentan-1-one
CID 79535712
(2S)-2-[(2R)-1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one
CID 97319363
2-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one
CID 104709969
2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 103414732

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide?
The IUPAC name of 2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide (CID 104626564) is 2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for 2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide is NS(=O)(=O)N1CCCC1C1CCCCC1=O.
What is the InChIKey of 2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide?
The InChIKey is PTJWYXCMFWANTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c11-16(14,15)12-7-3-5-9(12)8-4-1-2-6-10(8)13/h8-9H,1-7H2,(H2,11,14,15).
What are the key properties of 2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide?
2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide has a molecular weight of 246.33 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 104626564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).