(1S)-1-(2-phenylsulfanyl-3-pyridinyl)ethanamine

C13H14N2S — CID 103695131

IUPAC(1S)-1-(2-phenylsulfanyl-3-pyridinyl)ethanamine
SMILESC[C@H](N)c1cccnc1Sc1ccccc1
InChIInChI=1S/C13H14N2S/c1-10(14)12-8-5-9-15-13(12)16-11-6-3-2-4-7-11/h2-10H,14H2,1H3/t10-/m0/s1
InChIKeyKCUJEHHVFAADPO-JTQLQIEISA-N
MW230.34 g/mol
LogP3.25
Rot. Bonds3

About (1S)-1-(2-phenylsulfanyl-3-pyridinyl)ethanamine

(1S)-1-(2-phenylsulfanyl-3-pyridinyl)ethanamine (PubChem CID 103695131) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is (1S)-1-(2-phenylsulfanyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-phenylsulfanyl-3-pyridinyl)ethanamine
PubChem CID103695131
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name(1S)-1-(2-phenylsulfanyl-3-pyridinyl)ethanamine
SMILESC[C@H](N)c1cccnc1Sc1ccccc1
InChIInChI=1S/C13H14N2S/c1-10(14)12-8-5-9-15-13(12)16-11-6-3-2-4-7-11/h2-10H,14H2,1H3/t10-/m0/s1
InChIKeyKCUJEHHVFAADPO-JTQLQIEISA-N
XLogP3.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-(2,4-dimethylphenyl)sulfanyl-3-pyridinyl]ethanamine
CID 114056813
(1R)-1-[2-[(5-chloro-2-pyridinyl)sulfanyl]-3-pyridinyl]ethanamine
CID 114056875
2,3-bis(phenylsulfanyl)pyrazine
CID 86197506
(1S)-1-(2-methyl-3-pyridinyl)ethanamine
CID 94864826
1-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanol
CID 114057131
N-(1-hydroxypropan-2-yl)-2-phenylsulfanylpyridine-3-carboxamide
CID 78856709
(1R)-1-[2-(2-methylphenyl)sulfanyl-3-pyridinyl]ethanol
CID 114057152
3-[(1S)-1-aminoethyl]-N-methylpyridin-2-amine
CID 130738864
1-[3-(1-aminoethyl)-2-pyridinyl]ethanol
CID 123838969
(1R)-1-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanol
CID 114057147
1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 55272660
(1R)-1-quinolin-5-ylethanamine
CID 55277010

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-phenylsulfanyl-3-pyridinyl)ethanamine?
The IUPAC name of (1S)-1-(2-phenylsulfanyl-3-pyridinyl)ethanamine (CID 103695131) is (1S)-1-(2-phenylsulfanyl-3-pyridinyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-phenylsulfanyl-3-pyridinyl)ethanamine?
The canonical SMILES for (1S)-1-(2-phenylsulfanyl-3-pyridinyl)ethanamine is C[C@H](N)c1cccnc1Sc1ccccc1.
What is the InChIKey of (1S)-1-(2-phenylsulfanyl-3-pyridinyl)ethanamine?
The InChIKey is KCUJEHHVFAADPO-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14N2S/c1-10(14)12-8-5-9-15-13(12)16-11-6-3-2-4-7-11/h2-10H,14H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-(2-phenylsulfanyl-3-pyridinyl)ethanamine?
(1S)-1-(2-phenylsulfanyl-3-pyridinyl)ethanamine has a molecular weight of 230.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-phenylsulfanyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 103695131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).