5-methylsulfanyliminopent-3-en-1-amine

C6H12N2S — CID 123553879

IUPAC5-methylsulfanyliminopent-3-en-1-amine
SMILESCSN=CC=CCCN
InChIInChI=1S/C6H12N2S/c1-9-8-6-4-2-3-5-7/h2,4,6H,3,5,7H2,1H3
InChIKeyJXGDHJFFYCIJLL-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.24
Rot. Bonds4

About 5-methylsulfanyliminopent-3-en-1-amine

5-methylsulfanyliminopent-3-en-1-amine (PubChem CID 123553879) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is 5-methylsulfanyliminopent-3-en-1-amine.

Molecular Properties

Compound Name5-methylsulfanyliminopent-3-en-1-amine
PubChem CID123553879
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name5-methylsulfanyliminopent-3-en-1-amine
SMILESCSN=CC=CCCN
InChIInChI=1S/C6H12N2S/c1-9-8-6-4-2-3-5-7/h2,4,6H,3,5,7H2,1H3
InChIKeyJXGDHJFFYCIJLL-UHFFFAOYSA-N
XLogP1.24
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-5-iminopent-3-en-1-amine
CID 123325470
5-Iminopent-3-en-1-amine
CID 123777766
6-Methylsulfanyliminohex-3-en-1-amine
CID 123996368

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyliminopent-3-en-1-amine?
The IUPAC name of 5-methylsulfanyliminopent-3-en-1-amine (CID 123553879) is 5-methylsulfanyliminopent-3-en-1-amine.
What is the SMILES notation for 5-methylsulfanyliminopent-3-en-1-amine?
The canonical SMILES for 5-methylsulfanyliminopent-3-en-1-amine is CSN=CC=CCCN.
What is the InChIKey of 5-methylsulfanyliminopent-3-en-1-amine?
The InChIKey is JXGDHJFFYCIJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S/c1-9-8-6-4-2-3-5-7/h2,4,6H,3,5,7H2,1H3.
What are the key properties of 5-methylsulfanyliminopent-3-en-1-amine?
5-methylsulfanyliminopent-3-en-1-amine has a molecular weight of 144.24 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyliminopent-3-en-1-amine is sourced from PubChem (CID 123553879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).