N-prop-2-enylsulfanylmethanamine

C4H9NS — CID 89335151

IUPACN-prop-2-enylsulfanylmethanamine
SMILESC=CCSNC
InChIInChI=1S/C4H9NS/c1-3-4-6-5-2/h3,5H,1,4H2,2H3
InChIKeyMKLRTSALSDENOE-UHFFFAOYSA-N
MW103.19 g/mol
LogP1.04
Rot. Bonds3

About N-prop-2-enylsulfanylmethanamine

N-prop-2-enylsulfanylmethanamine (PubChem CID 89335151) has the molecular formula C4H9NS and a molecular weight of 103.19 g/mol. Its IUPAC name is N-prop-2-enylsulfanylmethanamine.

Molecular Properties

Compound NameN-prop-2-enylsulfanylmethanamine
PubChem CID89335151
Molecular FormulaC4H9NS
Molecular Weight103.19 g/mol
Exact Mass103.05
IUPAC NameN-prop-2-enylsulfanylmethanamine
SMILESC=CCSNC
InChIInChI=1S/C4H9NS/c1-3-4-6-5-2/h3,5H,1,4H2,2H3
InChIKeyMKLRTSALSDENOE-UHFFFAOYSA-N
XLogP1.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-prop-2-enylsulfanylmethanamine 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 N-prop-2-enylsulfanylmethanamine?
The IUPAC name of N-prop-2-enylsulfanylmethanamine (CID 89335151) is N-prop-2-enylsulfanylmethanamine.
What is the SMILES notation for N-prop-2-enylsulfanylmethanamine?
The canonical SMILES for N-prop-2-enylsulfanylmethanamine is C=CCSNC.
What is the InChIKey of N-prop-2-enylsulfanylmethanamine?
The InChIKey is MKLRTSALSDENOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS/c1-3-4-6-5-2/h3,5H,1,4H2,2H3.
What are the key properties of N-prop-2-enylsulfanylmethanamine?
N-prop-2-enylsulfanylmethanamine has a molecular weight of 103.19 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylsulfanylmethanamine is sourced from PubChem (CID 89335151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).