N-(2,3-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide

C12H24N2O2S — CID 64923611

IUPACN-(2,3-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCC1CCC(NS(=O)(=O)CC2CCCN2)C1C
InChIInChI=1S/C12H24N2O2S/c1-9-5-6-12(10(9)2)14-17(15,16)8-11-4-3-7-13-11/h9-14H,3-8H2,1-2H3
InChIKeyISMGKQSXUKTTOO-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.09
Rot. Bonds4

About N-(2,3-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide

N-(2,3-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 64923611) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID64923611
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-(2,3-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCC1CCC(NS(=O)(=O)CC2CCCN2)C1C
InChIInChI=1S/C12H24N2O2S/c1-9-5-6-12(10(9)2)14-17(15,16)8-11-4-3-7-13-11/h9-14H,3-8H2,1-2H3
InChIKeyISMGKQSXUKTTOO-UHFFFAOYSA-N
XLogP1.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 94233927
N-(1-methylpiperidin-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972072
N-(4-methylcyclohexyl)-1-piperidin-2-ylmethanesulfonamide
CID 54973720
N-(2,3-dimethylcyclopentyl)propane-1-sulfonamide
CID 64923274
N-(2,3-dimethylcyclopentyl)-2-pyrrolidin-2-ylacetamide
CID 64908940
N-(2,2-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 79879019
N-(1-methylpiperidin-4-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54973820
2,3-dimethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)cyclopentan-1-amine
CID 79541319
N-(2,2-dimethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 79878932
2-chloro-N-(2,3-dimethylcyclopentyl)ethanesulfonamide
CID 107652077
1-pyrrolidin-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanesulfonamide
CID 79350234
N-(1-methylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 64688259

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide (CID 64923611) is N-(2,3-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide is CC1CCC(NS(=O)(=O)CC2CCCN2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is ISMGKQSXUKTTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-9-5-6-12(10(9)2)14-17(15,16)8-11-4-3-7-13-11/h9-14H,3-8H2,1-2H3.
What are the key properties of N-(2,3-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide?
N-(2,3-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 260.40 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 64923611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).