3-(phenylsulfanylmethyl)pyridin-4-amine

C12H12N2S — CID 105470275

IUPAC3-(phenylsulfanylmethyl)pyridin-4-amine
SMILESNc1ccncc1CSc1ccccc1
InChIInChI=1S/C12H12N2S/c13-12-6-7-14-8-10(12)9-15-11-4-2-1-3-5-11/h1-8H,9H2,(H2,13,14)
InChIKeyUQGYWHSZGCWEHN-UHFFFAOYSA-N
MW216.31 g/mol
LogP2.96
Rot. Bonds3

About 3-(phenylsulfanylmethyl)pyridin-4-amine

3-(phenylsulfanylmethyl)pyridin-4-amine (PubChem CID 105470275) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 3-(phenylsulfanylmethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-(phenylsulfanylmethyl)pyridin-4-amine
PubChem CID105470275
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name3-(phenylsulfanylmethyl)pyridin-4-amine
SMILESNc1ccncc1CSc1ccccc1
InChIInChI=1S/C12H12N2S/c13-12-6-7-14-8-10(12)9-15-11-4-2-1-3-5-11/h1-8H,9H2,(H2,13,14)
InChIKeyUQGYWHSZGCWEHN-UHFFFAOYSA-N
XLogP2.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(phenylsulfanylmethyl)pyridine;hydrochloride
CID 71374325
3-(3-chloro-3-phenylpropyl)pyridin-4-amine
CID 64507336
3-(bromomethyl)pyridin-4-amine
CID 18674607
3-(4-amino-3-pyridinyl)-2-phenylpropanoic acid
CID 81009067
4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine
CID 114051759
2-fluoro-3-(pyridin-4-ylsulfanylmethyl)aniline
CID 107349838
2-fluoro-3-(phenylsulfanylmethyl)aniline
CID 107349748
4-N-methyl-4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine
CID 79222292
1-(4-amino-3-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one
CID 66085997
3-(4-amino-3-pyridinyl)-1-methoxy-1-phenylpropan-2-ol
CID 116756787
2-[(3-amino-4-pyridinyl)sulfanylmethyl]benzonitrile
CID 43299591
1-(4-amino-3-pyridinyl)-3-(2-bromophenyl)sulfanylpropan-2-one
CID 66144236

Frequently Asked Questions

What is the IUPAC name of 3-(phenylsulfanylmethyl)pyridin-4-amine?
The IUPAC name of 3-(phenylsulfanylmethyl)pyridin-4-amine (CID 105470275) is 3-(phenylsulfanylmethyl)pyridin-4-amine.
What is the SMILES notation for 3-(phenylsulfanylmethyl)pyridin-4-amine?
The canonical SMILES for 3-(phenylsulfanylmethyl)pyridin-4-amine is Nc1ccncc1CSc1ccccc1.
What is the InChIKey of 3-(phenylsulfanylmethyl)pyridin-4-amine?
The InChIKey is UQGYWHSZGCWEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c13-12-6-7-14-8-10(12)9-15-11-4-2-1-3-5-11/h1-8H,9H2,(H2,13,14).
What are the key properties of 3-(phenylsulfanylmethyl)pyridin-4-amine?
3-(phenylsulfanylmethyl)pyridin-4-amine has a molecular weight of 216.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylsulfanylmethyl)pyridin-4-amine is sourced from PubChem (CID 105470275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).