2-[(E)-but-2-enyl]sulfanylpropan-1-amine

C7H15NS — CID 58684918

IUPAC2-[(E)-but-2-enyl]sulfanylpropan-1-amine
SMILESC/C=C/CSC(C)CN
InChIInChI=1S/C7H15NS/c1-3-4-5-9-7(2)6-8/h3-4,7H,5-6,8H2,1-2H3/b4-3+
InChIKeyXSWBKGITXAEGBP-ONEGZZNKSA-N
MW145.27 g/mol
LogP1.64
Rot. Bonds4

About 2-[(E)-but-2-enyl]sulfanylpropan-1-amine

2-[(E)-but-2-enyl]sulfanylpropan-1-amine (PubChem CID 58684918) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 2-[(E)-but-2-enyl]sulfanylpropan-1-amine.

Molecular Properties

Compound Name2-[(E)-but-2-enyl]sulfanylpropan-1-amine
PubChem CID58684918
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name2-[(E)-but-2-enyl]sulfanylpropan-1-amine
SMILESC/C=C/CSC(C)CN
InChIInChI=1S/C7H15NS/c1-3-4-5-9-7(2)6-8/h3-4,7H,5-6,8H2,1-2H3/b4-3+
InChIKeyXSWBKGITXAEGBP-ONEGZZNKSA-N
XLogP1.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(E)-but-2-enyl]sulfanylpropan-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-[(E)-but-2-enyl]sulfanylpropan-1-amine?
The IUPAC name of 2-[(E)-but-2-enyl]sulfanylpropan-1-amine (CID 58684918) is 2-[(E)-but-2-enyl]sulfanylpropan-1-amine.
What is the SMILES notation for 2-[(E)-but-2-enyl]sulfanylpropan-1-amine?
The canonical SMILES for 2-[(E)-but-2-enyl]sulfanylpropan-1-amine is C/C=C/CSC(C)CN.
What is the InChIKey of 2-[(E)-but-2-enyl]sulfanylpropan-1-amine?
The InChIKey is XSWBKGITXAEGBP-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H15NS/c1-3-4-5-9-7(2)6-8/h3-4,7H,5-6,8H2,1-2H3/b4-3+.
What are the key properties of 2-[(E)-but-2-enyl]sulfanylpropan-1-amine?
2-[(E)-but-2-enyl]sulfanylpropan-1-amine has a molecular weight of 145.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enyl]sulfanylpropan-1-amine is sourced from PubChem (CID 58684918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).