1-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide

C13H15F3N2OS — CID 60866344

IUPAC1-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)Nc2ccccc2SC(F)(F)F)CCCC1
InChIInChI=1S/C13H15F3N2OS/c14-13(15,16)20-10-6-2-1-5-9(10)18-11(19)12(17)7-3-4-8-12/h1-2,5-6H,3-4,7-8,17H2,(H,18,19)
InChIKeyKGQQIKWBFNCJNK-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.51
Rot. Bonds3

About 1-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide

1-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 60866344) has the molecular formula C13H15F3N2OS and a molecular weight of 304.34 g/mol. Its IUPAC name is 1-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide
PubChem CID60866344
Molecular FormulaC13H15F3N2OS
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC Name1-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)Nc2ccccc2SC(F)(F)F)CCCC1
InChIInChI=1S/C13H15F3N2OS/c14-13(15,16)20-10-6-2-1-5-9(10)18-11(19)12(17)7-3-4-8-12/h1-2,5-6H,3-4,7-8,17H2,(H,18,19)
InChIKeyKGQQIKWBFNCJNK-UHFFFAOYSA-N
XLogP3.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(2-cyclopentylsulfanylphenyl)cyclopentane-1-carboxamide
CID 60867038
2-(1-hydroxycyclopentyl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 111537718
1-amino-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81167254
4-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 63121910
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(trifluoromethylsulfanyl)phenyl]urea
CID 111573146
2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
CID 61265978
1-amino-N-naphthalen-1-ylcyclopentane-1-carboxamide
CID 60867744
2-[2-[(1-aminocyclopentanecarbonyl)amino]phenyl]acetic acid
CID 62534206
(2R)-2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide;hydrochloride
CID 119280396
1-amino-N-[2-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 43710737
1-amino-N-[2-(1-hydroxyethyl)phenyl]cyclobutane-1-carboxamide
CID 81168462
3-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119706959

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide (CID 60866344) is 1-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide is NC1(C(=O)Nc2ccccc2SC(F)(F)F)CCCC1.
What is the InChIKey of 1-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is KGQQIKWBFNCJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2OS/c14-13(15,16)20-10-6-2-1-5-9(10)18-11(19)12(17)7-3-4-8-12/h1-2,5-6H,3-4,7-8,17H2,(H,18,19).
What are the key properties of 1-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide?
1-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 304.34 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 60866344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).