1-amino-3-(2,4-difluorophenyl)sulfanylcyclopentane-1-carboxamide

C12H14F2N2OS — CID 79653903

IUPAC1-amino-3-(2,4-difluorophenyl)sulfanylcyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCC(Sc2ccc(F)cc2F)C1
InChIInChI=1S/C12H14F2N2OS/c13-7-1-2-10(9(14)5-7)18-8-3-4-12(16,6-8)11(15)17/h1-2,5,8H,3-4,6,16H2,(H2,15,17)
InChIKeyDHKTXANIAXRJCC-UHFFFAOYSA-N
MW272.32 g/mol
LogP1.79
Rot. Bonds3

About 1-amino-3-(2,4-difluorophenyl)sulfanylcyclopentane-1-carboxamide

1-amino-3-(2,4-difluorophenyl)sulfanylcyclopentane-1-carboxamide (PubChem CID 79653903) has the molecular formula C12H14F2N2OS and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-amino-3-(2,4-difluorophenyl)sulfanylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(2,4-difluorophenyl)sulfanylcyclopentane-1-carboxamide
PubChem CID79653903
Molecular FormulaC12H14F2N2OS
Molecular Weight272.32 g/mol
Exact Mass272.08
IUPAC Name1-amino-3-(2,4-difluorophenyl)sulfanylcyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCC(Sc2ccc(F)cc2F)C1
InChIInChI=1S/C12H14F2N2OS/c13-7-1-2-10(9(14)5-7)18-8-3-4-12(16,6-8)11(15)17/h1-2,5,8H,3-4,6,16H2,(H2,15,17)
InChIKeyDHKTXANIAXRJCC-UHFFFAOYSA-N
XLogP1.79
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,4-difluorophenyl)sulfanylcyclopentane-1-carboxamide?
The IUPAC name of 1-amino-3-(2,4-difluorophenyl)sulfanylcyclopentane-1-carboxamide (CID 79653903) is 1-amino-3-(2,4-difluorophenyl)sulfanylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(2,4-difluorophenyl)sulfanylcyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-3-(2,4-difluorophenyl)sulfanylcyclopentane-1-carboxamide is NC(=O)C1(N)CCC(Sc2ccc(F)cc2F)C1.
What is the InChIKey of 1-amino-3-(2,4-difluorophenyl)sulfanylcyclopentane-1-carboxamide?
The InChIKey is DHKTXANIAXRJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2OS/c13-7-1-2-10(9(14)5-7)18-8-3-4-12(16,6-8)11(15)17/h1-2,5,8H,3-4,6,16H2,(H2,15,17).
What are the key properties of 1-amino-3-(2,4-difluorophenyl)sulfanylcyclopentane-1-carboxamide?
1-amino-3-(2,4-difluorophenyl)sulfanylcyclopentane-1-carboxamide has a molecular weight of 272.32 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,4-difluorophenyl)sulfanylcyclopentane-1-carboxamide is sourced from PubChem (CID 79653903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).