1-(2,5-difluoro-3-methylsulfonylphenyl)cyclopentan-1-amine

C12H15F2NO2S — CID 117440287

IUPAC1-(2,5-difluoro-3-methylsulfonylphenyl)cyclopentan-1-amine
SMILESCS(=O)(=O)c1cc(F)cc(C2(N)CCCC2)c1F
InChIInChI=1S/C12H15F2NO2S/c1-18(16,17)10-7-8(13)6-9(11(10)14)12(15)4-2-3-5-12/h6-7H,2-5,15H2,1H3
InChIKeyQZZDADCEXOCATB-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.10
Rot. Bonds2

About 1-(2,5-difluoro-3-methylsulfonylphenyl)cyclopentan-1-amine

1-(2,5-difluoro-3-methylsulfonylphenyl)cyclopentan-1-amine (PubChem CID 117440287) has the molecular formula C12H15F2NO2S and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-(2,5-difluoro-3-methylsulfonylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(2,5-difluoro-3-methylsulfonylphenyl)cyclopentan-1-amine
PubChem CID117440287
Molecular FormulaC12H15F2NO2S
Molecular Weight275.32 g/mol
Exact Mass275.08
IUPAC Name1-(2,5-difluoro-3-methylsulfonylphenyl)cyclopentan-1-amine
SMILESCS(=O)(=O)c1cc(F)cc(C2(N)CCCC2)c1F
InChIInChI=1S/C12H15F2NO2S/c1-18(16,17)10-7-8(13)6-9(11(10)14)12(15)4-2-3-5-12/h6-7H,2-5,15H2,1H3
InChIKeyQZZDADCEXOCATB-UHFFFAOYSA-N
XLogP2.10
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluoro-3-methylsulfonylphenyl)cyclobutan-1-amine
CID 117407145
2,5-difluoro-1-(1-isocyanatocyclopropyl)-3-methylsulfonylbenzene
CID 117435316
1-(4-methylsulfanyl-3-methylsulfonylphenyl)cyclohexan-1-amine
CID 117482499
1-(2,5-dimethoxy-3-methylsulfonylphenyl)cyclopentan-1-amine
CID 117482413
6-(1-aminocyclobutyl)-2,4-difluoro-3-methylsulfonylphenol
CID 117444056
1-(3,5-difluoro-2,4-dimethylphenyl)cyclopentan-1-amine
CID 84790278
1-(2,5-difluorophenyl)cyclopentan-1-amine
CID 62802401
1-(5-methoxy-4-methyl-2-methylsulfonylphenyl)cyclobutan-1-amine
CID 117426783
2-(1-aminocyclopentyl)-5-methylsulfonylphenol
CID 117391526
1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclobutan-1-amine
CID 117370183
1-(5-chloro-2-fluoro-3-methylphenyl)cyclopentan-1-amine
CID 84791900
1-(2,3-dimethoxy-4-methylsulfonylphenyl)cyclobutan-1-amine
CID 117459726

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-3-methylsulfonylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(2,5-difluoro-3-methylsulfonylphenyl)cyclopentan-1-amine (CID 117440287) is 1-(2,5-difluoro-3-methylsulfonylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(2,5-difluoro-3-methylsulfonylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(2,5-difluoro-3-methylsulfonylphenyl)cyclopentan-1-amine is CS(=O)(=O)c1cc(F)cc(C2(N)CCCC2)c1F.
What is the InChIKey of 1-(2,5-difluoro-3-methylsulfonylphenyl)cyclopentan-1-amine?
The InChIKey is QZZDADCEXOCATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2S/c1-18(16,17)10-7-8(13)6-9(11(10)14)12(15)4-2-3-5-12/h6-7H,2-5,15H2,1H3.
What are the key properties of 1-(2,5-difluoro-3-methylsulfonylphenyl)cyclopentan-1-amine?
1-(2,5-difluoro-3-methylsulfonylphenyl)cyclopentan-1-amine has a molecular weight of 275.32 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-3-methylsulfonylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117440287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).