(1S)-2-(difluoromethylidene)-4-phenylsulfanylcyclopentan-1-amine

C12H13F2NS — CID 130357181

IUPAC(1S)-2-(difluoromethylidene)-4-phenylsulfanylcyclopentan-1-amine
SMILESN[C@H]1CC(Sc2ccccc2)CC1=C(F)F
InChIInChI=1S/C12H13F2NS/c13-12(14)10-6-9(7-11(10)15)16-8-4-2-1-3-5-8/h1-5,9,11H,6-7,15H2/t9?,11-/m0/s1
InChIKeyPWXIGSFCCFJKQS-UMJHXOGRSA-N
MW241.31 g/mol
LogP3.42
Rot. Bonds2

About (1S)-2-(difluoromethylidene)-4-phenylsulfanylcyclopentan-1-amine

(1S)-2-(difluoromethylidene)-4-phenylsulfanylcyclopentan-1-amine (PubChem CID 130357181) has the molecular formula C12H13F2NS and a molecular weight of 241.31 g/mol. Its IUPAC name is (1S)-2-(difluoromethylidene)-4-phenylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound Name(1S)-2-(difluoromethylidene)-4-phenylsulfanylcyclopentan-1-amine
PubChem CID130357181
Molecular FormulaC12H13F2NS
Molecular Weight241.31 g/mol
Exact Mass241.07
IUPAC Name(1S)-2-(difluoromethylidene)-4-phenylsulfanylcyclopentan-1-amine
SMILESN[C@H]1CC(Sc2ccccc2)CC1=C(F)F
InChIInChI=1S/C12H13F2NS/c13-12(14)10-6-9(7-11(10)15)16-8-4-2-1-3-5-8/h1-5,9,11H,6-7,15H2/t9?,11-/m0/s1
InChIKeyPWXIGSFCCFJKQS-UMJHXOGRSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Fluoro-2-phenylsulfanylethanamine
CID 21589690
cis-(1S,3R)-3-[(4-fluorophenyl)sulfanylmethyl]cyclopentan-1-amine
CID 11962916
(Z)-3-fluoro-2-(phenylsulfanylmethyl)prop-2-en-1-amine
CID 13958758
(E)-3-fluoro-2-(phenylsulfanylmethyl)prop-2-en-1-amine
CID 13958759
(Z)-3-fluoro-2-[(4-fluorophenyl)sulfanylmethyl]prop-2-en-1-amine
CID 13958760
(E)-3-fluoro-4-phenylsulfanylbut-2-en-1-amine
CID 42623273
3-(2,5-Difluorophenyl)sulfanylpropan-1-amine
CID 43518914
(2S)-1-(4-fluorophenyl)sulfanylpentan-2-amine
CID 59125346
3-(4-Fluorophenyl)sulfinylcyclopentan-1-amine
CID 64722850
1-(3-Fluorophenyl)sulfanylpropan-2-amine
CID 66072930
(Z)-3-fluoro-4-phenylsulfanylbut-2-en-1-amine
CID 68774177
3-Fluoro-4-phenylsulfanylbut-2-en-1-amine
CID 68774180

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(difluoromethylidene)-4-phenylsulfanylcyclopentan-1-amine?
The IUPAC name of (1S)-2-(difluoromethylidene)-4-phenylsulfanylcyclopentan-1-amine (CID 130357181) is (1S)-2-(difluoromethylidene)-4-phenylsulfanylcyclopentan-1-amine.
What is the SMILES notation for (1S)-2-(difluoromethylidene)-4-phenylsulfanylcyclopentan-1-amine?
The canonical SMILES for (1S)-2-(difluoromethylidene)-4-phenylsulfanylcyclopentan-1-amine is N[C@H]1CC(Sc2ccccc2)CC1=C(F)F.
What is the InChIKey of (1S)-2-(difluoromethylidene)-4-phenylsulfanylcyclopentan-1-amine?
The InChIKey is PWXIGSFCCFJKQS-UMJHXOGRSA-N. The full InChI is InChI=1S/C12H13F2NS/c13-12(14)10-6-9(7-11(10)15)16-8-4-2-1-3-5-8/h1-5,9,11H,6-7,15H2/t9?,11-/m0/s1.
What are the key properties of (1S)-2-(difluoromethylidene)-4-phenylsulfanylcyclopentan-1-amine?
(1S)-2-(difluoromethylidene)-4-phenylsulfanylcyclopentan-1-amine has a molecular weight of 241.31 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(difluoromethylidene)-4-phenylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 130357181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).