N-[(2,2-difluorocyclopentyl)methyl]-1-methylsulfonylcyclopropane-1-carboxamide

C11H17F2NO3S — CID 138017175

IUPACN-[(2,2-difluorocyclopentyl)methyl]-1-methylsulfonylcyclopropane-1-carboxamide
SMILESCS(=O)(=O)C1(C(=O)NCC2CCCC2(F)F)CC1
InChIInChI=1S/C11H17F2NO3S/c1-18(16,17)10(5-6-10)9(15)14-7-8-3-2-4-11(8,12)13/h8H,2-7H2,1H3,(H,14,15)
InChIKeyLSZIETQQWSHIQU-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.12
Rot. Bonds4

About N-[(2,2-difluorocyclopentyl)methyl]-1-methylsulfonylcyclopropane-1-carboxamide

N-[(2,2-difluorocyclopentyl)methyl]-1-methylsulfonylcyclopropane-1-carboxamide (PubChem CID 138017175) has the molecular formula C11H17F2NO3S and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[(2,2-difluorocyclopentyl)methyl]-1-methylsulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2,2-difluorocyclopentyl)methyl]-1-methylsulfonylcyclopropane-1-carboxamide
PubChem CID138017175
Molecular FormulaC11H17F2NO3S
Molecular Weight281.32 g/mol
Exact Mass281.09
IUPAC NameN-[(2,2-difluorocyclopentyl)methyl]-1-methylsulfonylcyclopropane-1-carboxamide
SMILESCS(=O)(=O)C1(C(=O)NCC2CCCC2(F)F)CC1
InChIInChI=1S/C11H17F2NO3S/c1-18(16,17)10(5-6-10)9(15)14-7-8-3-2-4-11(8,12)13/h8H,2-7H2,1H3,(H,14,15)
InChIKeyLSZIETQQWSHIQU-UHFFFAOYSA-N
XLogP1.12
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,2-difluorocyclopentyl)methyl]-1-methylsulfonylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-difluorocyclopentyl)methyl]-1-methylsulfonylcyclopropane-1-carboxamide?
The IUPAC name of N-[(2,2-difluorocyclopentyl)methyl]-1-methylsulfonylcyclopropane-1-carboxamide (CID 138017175) is N-[(2,2-difluorocyclopentyl)methyl]-1-methylsulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2,2-difluorocyclopentyl)methyl]-1-methylsulfonylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(2,2-difluorocyclopentyl)methyl]-1-methylsulfonylcyclopropane-1-carboxamide is CS(=O)(=O)C1(C(=O)NCC2CCCC2(F)F)CC1.
What is the InChIKey of N-[(2,2-difluorocyclopentyl)methyl]-1-methylsulfonylcyclopropane-1-carboxamide?
The InChIKey is LSZIETQQWSHIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO3S/c1-18(16,17)10(5-6-10)9(15)14-7-8-3-2-4-11(8,12)13/h8H,2-7H2,1H3,(H,14,15).
What are the key properties of N-[(2,2-difluorocyclopentyl)methyl]-1-methylsulfonylcyclopropane-1-carboxamide?
N-[(2,2-difluorocyclopentyl)methyl]-1-methylsulfonylcyclopropane-1-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-difluorocyclopentyl)methyl]-1-methylsulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 138017175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).