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

C13H26N2O2S — CID 79878932

IUPACN-(2,2-dimethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCC1(C)CCCCC1NS(=O)(=O)CC1CCCN1
InChIInChI=1S/C13H26N2O2S/c1-13(2)8-4-3-7-12(13)15-18(16,17)10-11-6-5-9-14-11/h11-12,14-15H,3-10H2,1-2H3
InChIKeySPSLQRKYXIYHCJ-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.63
Rot. Bonds4

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

N-(2,2-dimethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 79878932) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID79878932
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-(2,2-dimethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCC1(C)CCCCC1NS(=O)(=O)CC1CCCN1
InChIInChI=1S/C13H26N2O2S/c1-13(2)8-4-3-7-12(13)15-18(16,17)10-11-6-5-9-14-11/h11-12,14-15H,3-10H2,1-2H3
InChIKeySPSLQRKYXIYHCJ-UHFFFAOYSA-N
XLogP1.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 79879019
N-(1-methylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 64688259
N-methyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 94233927
N-(2,2-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide
CID 79878269
1-pyrrolidin-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanesulfonamide
CID 79350234
N-(4-methylcyclohexyl)-1-piperidin-2-ylmethanesulfonamide
CID 54973720
(2,2-dimethylcyclohexyl)sulfamic acid
CID 175440747
N-(2,2-dimethylcyclohexyl)-4-(methylamino)butane-1-sulfonamide
CID 114141661
N-(1-methylpiperidin-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972072
N-(2,3-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 64923611
N-(1-methylpiperidin-4-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54973820
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-2-ylmethanesulfonamide
CID 107164552

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide (CID 79878932) is N-(2,2-dimethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide is CC1(C)CCCCC1NS(=O)(=O)CC1CCCN1.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is SPSLQRKYXIYHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-13(2)8-4-3-7-12(13)15-18(16,17)10-11-6-5-9-14-11/h11-12,14-15H,3-10H2,1-2H3.
What are the key properties of N-(2,2-dimethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide?
N-(2,2-dimethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 274.43 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 79878932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).