2-[(6-methyl-2-pyridinyl)sulfanyl]propan-1-amine

C9H14N2S — CID 54092207

IUPAC2-[(6-methyl-2-pyridinyl)sulfanyl]propan-1-amine
SMILESCc1cccc(SC(C)CN)n1
InChIInChI=1S/C9H14N2S/c1-7-4-3-5-9(11-7)12-8(2)6-10/h3-5,8H,6,10H2,1-2H3
InChIKeyMUQOZEGJTRRHSU-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.83
Rot. Bonds3

About 2-[(6-methyl-2-pyridinyl)sulfanyl]propan-1-amine

2-[(6-methyl-2-pyridinyl)sulfanyl]propan-1-amine (PubChem CID 54092207) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)sulfanyl]propan-1-amine.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)sulfanyl]propan-1-amine
PubChem CID54092207
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name2-[(6-methyl-2-pyridinyl)sulfanyl]propan-1-amine
SMILESCc1cccc(SC(C)CN)n1
InChIInChI=1S/C9H14N2S/c1-7-4-3-5-9(11-7)12-8(2)6-10/h3-5,8H,6,10H2,1-2H3
InChIKeyMUQOZEGJTRRHSU-UHFFFAOYSA-N
XLogP1.83
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(6-methyl-2-pyridinyl)sulfanyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)sulfanyl]propan-1-amine?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)sulfanyl]propan-1-amine (CID 54092207) is 2-[(6-methyl-2-pyridinyl)sulfanyl]propan-1-amine.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)sulfanyl]propan-1-amine?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)sulfanyl]propan-1-amine is Cc1cccc(SC(C)CN)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)sulfanyl]propan-1-amine?
The InChIKey is MUQOZEGJTRRHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-7-4-3-5-9(11-7)12-8(2)6-10/h3-5,8H,6,10H2,1-2H3.
What are the key properties of 2-[(6-methyl-2-pyridinyl)sulfanyl]propan-1-amine?
2-[(6-methyl-2-pyridinyl)sulfanyl]propan-1-amine has a molecular weight of 182.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)sulfanyl]propan-1-amine is sourced from PubChem (CID 54092207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).