N-methyl-2-prop-2-enylsulfanylethanamine

C6H13NS — CID 106428183

IUPACN-methyl-2-prop-2-enylsulfanylethanamine
SMILESC=CCSCCNC
InChIInChI=1S/C6H13NS/c1-3-5-8-6-4-7-2/h3,7H,1,4-6H2,2H3
InChIKeyMQACNOXXCHQWIK-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.12
Rot. Bonds5

About N-methyl-2-prop-2-enylsulfanylethanamine

N-methyl-2-prop-2-enylsulfanylethanamine (PubChem CID 106428183) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is N-methyl-2-prop-2-enylsulfanylethanamine.

Molecular Properties

Compound NameN-methyl-2-prop-2-enylsulfanylethanamine
PubChem CID106428183
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC NameN-methyl-2-prop-2-enylsulfanylethanamine
SMILESC=CCSCCNC
InChIInChI=1S/C6H13NS/c1-3-5-8-6-4-7-2/h3,7H,1,4-6H2,2H3
InChIKeyMQACNOXXCHQWIK-UHFFFAOYSA-N
XLogP1.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.12
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'}

Analyze N-methyl-2-prop-2-enylsulfanylethanamine 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-methyl-2-prop-2-enylsulfanylethanamine?
The IUPAC name of N-methyl-2-prop-2-enylsulfanylethanamine (CID 106428183) is N-methyl-2-prop-2-enylsulfanylethanamine.
What is the SMILES notation for N-methyl-2-prop-2-enylsulfanylethanamine?
The canonical SMILES for N-methyl-2-prop-2-enylsulfanylethanamine is C=CCSCCNC.
What is the InChIKey of N-methyl-2-prop-2-enylsulfanylethanamine?
The InChIKey is MQACNOXXCHQWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-3-5-8-6-4-7-2/h3,7H,1,4-6H2,2H3.
What are the key properties of N-methyl-2-prop-2-enylsulfanylethanamine?
N-methyl-2-prop-2-enylsulfanylethanamine has a molecular weight of 131.24 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-prop-2-enylsulfanylethanamine is sourced from PubChem (CID 106428183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).