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

C12H24N2O2S — CID 79879019

IUPACN-(2,2-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCC1(C)CCCC1NS(=O)(=O)CC1CCCN1
InChIInChI=1S/C12H24N2O2S/c1-12(2)7-3-6-11(12)14-17(15,16)9-10-5-4-8-13-10/h10-11,13-14H,3-9H2,1-2H3
InChIKeyVDUFQGYSZSQWCZ-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.24
Rot. Bonds4

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

N-(2,2-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 79879019) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID79879019
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-(2,2-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCC1(C)CCCC1NS(=O)(=O)CC1CCCN1
InChIInChI=1S/C12H24N2O2S/c1-12(2)7-3-6-11(12)14-17(15,16)9-10-5-4-8-13-10/h10-11,13-14H,3-9H2,1-2H3
InChIKeyVDUFQGYSZSQWCZ-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 79878932
N-methyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 94233927
N-(1-methylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 64688259
1-pyrrolidin-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanesulfonamide
CID 79350234
N-(2,3-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 64923611
N-(1-methylpiperidin-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972072
N-(4-methylcyclohexyl)-1-piperidin-2-ylmethanesulfonamide
CID 54973720
N-(2,2-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide
CID 79878269
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 105419192
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-2-ylmethanesulfonamide
CID 107164552
N-(1-methylpiperidin-4-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54973820
(2R)-2-(methylsulfonylmethyl)pyrrolidine;hydrochloride
CID 155971117

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide (CID 79879019) is N-(2,2-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide is CC1(C)CCCC1NS(=O)(=O)CC1CCCN1.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is VDUFQGYSZSQWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-12(2)7-3-6-11(12)14-17(15,16)9-10-5-4-8-13-10/h10-11,13-14H,3-9H2,1-2H3.
What are the key properties of N-(2,2-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide?
N-(2,2-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 260.40 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 79879019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).