3-methylsulfanyl-N-(pyrazin-2-ylmethyl)propan-1-amine

C9H15N3S — CID 63983825

IUPAC3-methylsulfanyl-N-(pyrazin-2-ylmethyl)propan-1-amine
SMILESCSCCCNCc1cnccn1
InChIInChI=1S/C9H15N3S/c1-13-6-2-3-10-7-9-8-11-4-5-12-9/h4-5,8,10H,2-3,6-7H2,1H3
InChIKeyRKPKGYRRNMQCAM-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.32
Rot. Bonds6

About 3-methylsulfanyl-N-(pyrazin-2-ylmethyl)propan-1-amine

3-methylsulfanyl-N-(pyrazin-2-ylmethyl)propan-1-amine (PubChem CID 63983825) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(pyrazin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-N-(pyrazin-2-ylmethyl)propan-1-amine
PubChem CID63983825
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name3-methylsulfanyl-N-(pyrazin-2-ylmethyl)propan-1-amine
SMILESCSCCCNCc1cnccn1
InChIInChI=1S/C9H15N3S/c1-13-6-2-3-10-7-9-8-11-4-5-12-9/h4-5,8,10H,2-3,6-7H2,1H3
InChIKeyRKPKGYRRNMQCAM-UHFFFAOYSA-N
XLogP1.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methylsulfanyl-N-(pyrazin-2-ylmethyl)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 3-methylsulfanyl-N-(pyrazin-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-methylsulfanyl-N-(pyrazin-2-ylmethyl)propan-1-amine (CID 63983825) is 3-methylsulfanyl-N-(pyrazin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-N-(pyrazin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-methylsulfanyl-N-(pyrazin-2-ylmethyl)propan-1-amine is CSCCCNCc1cnccn1.
What is the InChIKey of 3-methylsulfanyl-N-(pyrazin-2-ylmethyl)propan-1-amine?
The InChIKey is RKPKGYRRNMQCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-13-6-2-3-10-7-9-8-11-4-5-12-9/h4-5,8,10H,2-3,6-7H2,1H3.
What are the key properties of 3-methylsulfanyl-N-(pyrazin-2-ylmethyl)propan-1-amine?
3-methylsulfanyl-N-(pyrazin-2-ylmethyl)propan-1-amine has a molecular weight of 197.31 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(pyrazin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 63983825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).