cis-(1S,2R)-2-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]cyclopentane-1-carboxamide;hydrochloride

C12H15ClF6N2OS — CID 163395275

IUPACcis-(1S,2R)-2-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.N[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(F)c(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C12H14F6N2OS.ClH/c13-9-5-4-7(6-11(9)22(14,15,16,17)18)20-12(21)8-2-1-3-10(8)19;/h4-6,8,10H,1-3,19H2,(H,20,21);1H/t8-,10+;/m0./s1
InChIKeyCFOUWTFBJGHEPZ-KXNXZCPBSA-N
MW384.77 g/mol
LogP4.97
Rot. Bonds3

About cis-(1S,2R)-2-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]cyclopentane-1-carboxamide;hydrochloride

cis-(1S,2R)-2-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 163395275) has the molecular formula C12H15ClF6N2OS and a molecular weight of 384.77 g/mol. Its IUPAC name is cis-(1S,2R)-2-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Namecis-(1S,2R)-2-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID163395275
Molecular FormulaC12H15ClF6N2OS
Molecular Weight384.77 g/mol
Exact Mass384.05
IUPAC Namecis-(1S,2R)-2-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.N[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(F)c(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C12H14F6N2OS.ClH/c13-9-5-4-7(6-11(9)22(14,15,16,17)18)20-12(21)8-2-1-3-10(8)19;/h4-6,8,10H,1-3,19H2,(H,20,21);1H/t8-,10+;/m0./s1
InChIKeyCFOUWTFBJGHEPZ-KXNXZCPBSA-N
XLogP4.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.77
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1S,2R)-2-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]cyclopentane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

(3R,4R)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]oxane-4-carboxamide
CID 163395381
5-[(2-aminocyclohexanecarbonyl)amino]-2-fluorobenzamide
CID 64824712
N-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide
CID 64822591
2-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670661
(1R,2S,3R,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 163396159
(1R,2R,3S,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 163395688
2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64822720
2-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide
CID 107574334
2-amino-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670339
2-amino-N-(4-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64825119
2-amino-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 64823330
2-amino-N-(2,3-dihydro-1H-inden-5-yl)cyclopentane-1-carboxamide
CID 64817762

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of cis-(1S,2R)-2-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]cyclopentane-1-carboxamide;hydrochloride (CID 163395275) is cis-(1S,2R)-2-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for cis-(1S,2R)-2-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for cis-(1S,2R)-2-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]cyclopentane-1-carboxamide;hydrochloride is Cl.N[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(F)c(S(F)(F)(F)(F)F)c1.
What is the InChIKey of cis-(1S,2R)-2-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is CFOUWTFBJGHEPZ-KXNXZCPBSA-N. The full InChI is InChI=1S/C12H14F6N2OS.ClH/c13-9-5-4-7(6-11(9)22(14,15,16,17)18)20-12(21)8-2-1-3-10(8)19;/h4-6,8,10H,1-3,19H2,(H,20,21);1H/t8-,10+;/m0./s1.
What are the key properties of cis-(1S,2R)-2-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
cis-(1S,2R)-2-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 384.77 g/mol, XLogP of 4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 163395275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).