N-(2,5-dimethylcyclopentyl)methanesulfonamide

C8H17NO2S — CID 130694153

IUPACN-(2,5-dimethylcyclopentyl)methanesulfonamide
SMILESCC1CCC(C)C1NS(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-6-4-5-7(2)8(6)9-12(3,10)11/h6-9H,4-5H2,1-3H3
InChIKeyIPJCWQZFSLPQMW-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.97
Rot. Bonds2

About N-(2,5-dimethylcyclopentyl)methanesulfonamide

N-(2,5-dimethylcyclopentyl)methanesulfonamide (PubChem CID 130694153) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-(2,5-dimethylcyclopentyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylcyclopentyl)methanesulfonamide
PubChem CID130694153
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-(2,5-dimethylcyclopentyl)methanesulfonamide
SMILESCC1CCC(C)C1NS(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-6-4-5-7(2)8(6)9-12(3,10)11/h6-9H,4-5H2,1-3H3
InChIKeyIPJCWQZFSLPQMW-UHFFFAOYSA-N
XLogP0.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylcyclopentyl)methanesulfonamide?
The IUPAC name of N-(2,5-dimethylcyclopentyl)methanesulfonamide (CID 130694153) is N-(2,5-dimethylcyclopentyl)methanesulfonamide.
What is the SMILES notation for N-(2,5-dimethylcyclopentyl)methanesulfonamide?
The canonical SMILES for N-(2,5-dimethylcyclopentyl)methanesulfonamide is CC1CCC(C)C1NS(C)(=O)=O.
What is the InChIKey of N-(2,5-dimethylcyclopentyl)methanesulfonamide?
The InChIKey is IPJCWQZFSLPQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-6-4-5-7(2)8(6)9-12(3,10)11/h6-9H,4-5H2,1-3H3.
What are the key properties of N-(2,5-dimethylcyclopentyl)methanesulfonamide?
N-(2,5-dimethylcyclopentyl)methanesulfonamide has a molecular weight of 191.30 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylcyclopentyl)methanesulfonamide is sourced from PubChem (CID 130694153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).