4-(4-aminophenyl)sulfanyl-N-methylpyridin-2-amine

C12H13N3S — CID 67177740

IUPAC4-(4-aminophenyl)sulfanyl-N-methylpyridin-2-amine
SMILESCNc1cc(Sc2ccc(N)cc2)ccn1
InChIInChI=1S/C12H13N3S/c1-14-12-8-11(6-7-15-12)16-10-4-2-9(13)3-5-10/h2-8H,13H2,1H3,(H,14,15)
InChIKeyQQWQUSUGTHCSLF-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.86
Rot. Bonds3

About 4-(4-aminophenyl)sulfanyl-N-methylpyridin-2-amine

4-(4-aminophenyl)sulfanyl-N-methylpyridin-2-amine (PubChem CID 67177740) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfanyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(4-aminophenyl)sulfanyl-N-methylpyridin-2-amine
PubChem CID67177740
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name4-(4-aminophenyl)sulfanyl-N-methylpyridin-2-amine
SMILESCNc1cc(Sc2ccc(N)cc2)ccn1
InChIInChI=1S/C12H13N3S/c1-14-12-8-11(6-7-15-12)16-10-4-2-9(13)3-5-10/h2-8H,13H2,1H3,(H,14,15)
InChIKeyQQWQUSUGTHCSLF-UHFFFAOYSA-N
XLogP2.86
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)sulfanyl-N-methylpyridin-2-amine?
The IUPAC name of 4-(4-aminophenyl)sulfanyl-N-methylpyridin-2-amine (CID 67177740) is 4-(4-aminophenyl)sulfanyl-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(4-aminophenyl)sulfanyl-N-methylpyridin-2-amine?
The canonical SMILES for 4-(4-aminophenyl)sulfanyl-N-methylpyridin-2-amine is CNc1cc(Sc2ccc(N)cc2)ccn1.
What is the InChIKey of 4-(4-aminophenyl)sulfanyl-N-methylpyridin-2-amine?
The InChIKey is QQWQUSUGTHCSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-14-12-8-11(6-7-15-12)16-10-4-2-9(13)3-5-10/h2-8H,13H2,1H3,(H,14,15).
What are the key properties of 4-(4-aminophenyl)sulfanyl-N-methylpyridin-2-amine?
4-(4-aminophenyl)sulfanyl-N-methylpyridin-2-amine has a molecular weight of 231.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)sulfanyl-N-methylpyridin-2-amine is sourced from PubChem (CID 67177740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).