(S)-cyclobutyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine

C12H14F3NS — CID 171231404

IUPAC(S)-cyclobutyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine
SMILESN[C@H](c1ccccc1SC(F)(F)F)C1CCC1
InChIInChI=1S/C12H14F3NS/c13-12(14,15)17-10-7-2-1-6-9(10)11(16)8-4-3-5-8/h1-2,6-8,11H,3-5,16H2/t11-/m0/s1
InChIKeyZRHALZKZUCYTQB-NSHDSACASA-N
MW261.31 g/mol
LogP4.10
Rot. Bonds3

About (S)-cyclobutyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine

(S)-cyclobutyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine (PubChem CID 171231404) has the molecular formula C12H14F3NS and a molecular weight of 261.31 g/mol. Its IUPAC name is (S)-cyclobutyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound Name(S)-cyclobutyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine
PubChem CID171231404
Molecular FormulaC12H14F3NS
Molecular Weight261.31 g/mol
Exact Mass261.08
IUPAC Name(S)-cyclobutyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine
SMILESN[C@H](c1ccccc1SC(F)(F)F)C1CCC1
InChIInChI=1S/C12H14F3NS/c13-12(14,15)17-10-7-2-1-6-9(10)11(16)8-4-3-5-8/h1-2,6-8,11H,3-5,16H2/t11-/m0/s1
InChIKeyZRHALZKZUCYTQB-NSHDSACASA-N
XLogP4.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride
CID 171211805
cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine
CID 64986967
(1R)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine
CID 171211790
(1S)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride
CID 171231397
(R)-(2-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171198060
(S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171226251
(R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206677
(S)-[2-(4-chlorophenyl)sulfanylphenyl]-cyclobutylmethanamine
CID 171234728
(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine;hydrochloride
CID 171208551
(1S)-2-fluoro-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride
CID 171211767
(3-bromo-2-fluorophenyl)-cyclobutylmethanamine
CID 103693583
2-[(S)-amino(cyclopentyl)methyl]phenol
CID 130665653

Frequently Asked Questions

What is the IUPAC name of (S)-cyclobutyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine?
The IUPAC name of (S)-cyclobutyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine (CID 171231404) is (S)-cyclobutyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine.
What is the SMILES notation for (S)-cyclobutyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine?
The canonical SMILES for (S)-cyclobutyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine is N[C@H](c1ccccc1SC(F)(F)F)C1CCC1.
What is the InChIKey of (S)-cyclobutyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine?
The InChIKey is ZRHALZKZUCYTQB-NSHDSACASA-N. The full InChI is InChI=1S/C12H14F3NS/c13-12(14,15)17-10-7-2-1-6-9(10)11(16)8-4-3-5-8/h1-2,6-8,11H,3-5,16H2/t11-/m0/s1.
What are the key properties of (S)-cyclobutyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine?
(S)-cyclobutyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine has a molecular weight of 261.31 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclobutyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 171231404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).