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

C12H24N2O2S — CID 54972628

IUPACN-(cyclohexylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCN1)NCC1CCCCC1
InChIInChI=1S/C12H24N2O2S/c15-17(16,10-12-7-4-8-13-12)14-9-11-5-2-1-3-6-11/h11-14H,1-10H2
InChIKeyYSQZFYADFWTBFV-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.24
Rot. Bonds5

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

N-(cyclohexylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 54972628) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID54972628
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-(cyclohexylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCN1)NCC1CCCCC1
InChIInChI=1S/C12H24N2O2S/c15-17(16,10-12-7-4-8-13-12)14-9-11-5-2-1-3-6-11/h11-14H,1-10H2
InChIKeyYSQZFYADFWTBFV-UHFFFAOYSA-N
XLogP1.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide (CID 54972628) is N-(cyclohexylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide is O=S(=O)(CC1CCCN1)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is YSQZFYADFWTBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c15-17(16,10-12-7-4-8-13-12)14-9-11-5-2-1-3-6-11/h11-14H,1-10H2.
What are the key properties of N-(cyclohexylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide?
N-(cyclohexylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 260.40 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 54972628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).