N-(4-ethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide

C13H26N2O2S — CID 54972155

IUPACN-(4-ethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCCC1CCC(NS(=O)(=O)CC2CCCN2)CC1
InChIInChI=1S/C13H26N2O2S/c1-2-11-5-7-12(8-6-11)15-18(16,17)10-13-4-3-9-14-13/h11-15H,2-10H2,1H3
InChIKeyGEXHCCIZRXZICV-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.63
Rot. Bonds5

About N-(4-ethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide

N-(4-ethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 54972155) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID54972155
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-(4-ethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCCC1CCC(NS(=O)(=O)CC2CCCN2)CC1
InChIInChI=1S/C13H26N2O2S/c1-2-11-5-7-12(8-6-11)15-18(16,17)10-13-4-3-9-14-13/h11-15H,2-10H2,1H3
InChIKeyGEXHCCIZRXZICV-UHFFFAOYSA-N
XLogP1.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-(4-ethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide (CID 54972155) is N-(4-ethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide is CCC1CCC(NS(=O)(=O)CC2CCCN2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is GEXHCCIZRXZICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-2-11-5-7-12(8-6-11)15-18(16,17)10-13-4-3-9-14-13/h11-15H,2-10H2,1H3.
What are the key properties of N-(4-ethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide?
N-(4-ethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 274.43 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 54972155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).