N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylmethanesulfonamide

C13H26N2O2S — CID 54972740

IUPACN-(2-cyclohexylethyl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCN1)NCCC1CCCCC1
InChIInChI=1S/C13H26N2O2S/c16-18(17,11-13-7-4-9-14-13)15-10-8-12-5-2-1-3-6-12/h12-15H,1-11H2
InChIKeyPWZVUEQMEKVDOH-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.63
Rot. Bonds6

About N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylmethanesulfonamide

N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 54972740) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID54972740
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-(2-cyclohexylethyl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCN1)NCCC1CCCCC1
InChIInChI=1S/C13H26N2O2S/c16-18(17,11-13-7-4-9-14-13)15-10-8-12-5-2-1-3-6-12/h12-15H,1-11H2
InChIKeyPWZVUEQMEKVDOH-UHFFFAOYSA-N
XLogP1.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-(2-cyclohexylethyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylmethanesulfonamide (CID 54972740) is N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylmethanesulfonamide is O=S(=O)(CC1CCCN1)NCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is PWZVUEQMEKVDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c16-18(17,11-13-7-4-9-14-13)15-10-8-12-5-2-1-3-6-12/h12-15H,1-11H2.
What are the key properties of N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylmethanesulfonamide?
N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 274.43 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 54972740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).