2-[[cyclopropyl(methyl)amino]methyl]prop-2-ene-1-thiol

C8H15NS — CID 103073273

IUPAC2-[[cyclopropyl(methyl)amino]methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN(C)C1CC1
InChIInChI=1S/C8H15NS/c1-7(6-10)5-9(2)8-3-4-8/h8,10H,1,3-6H2,2H3
InChIKeyRFYYMPNUQYIUIF-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.57
Rot. Bonds4

About 2-[[cyclopropyl(methyl)amino]methyl]prop-2-ene-1-thiol

2-[[cyclopropyl(methyl)amino]methyl]prop-2-ene-1-thiol (PubChem CID 103073273) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2-[[cyclopropyl(methyl)amino]methyl]prop-2-ene-1-thiol.

Molecular Properties

Compound Name2-[[cyclopropyl(methyl)amino]methyl]prop-2-ene-1-thiol
PubChem CID103073273
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2-[[cyclopropyl(methyl)amino]methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN(C)C1CC1
InChIInChI=1S/C8H15NS/c1-7(6-10)5-9(2)8-3-4-8/h8,10H,1,3-6H2,2H3
InChIKeyRFYYMPNUQYIUIF-UHFFFAOYSA-N
XLogP1.57
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[[cyclopropyl(methyl)amino]methyl]prop-2-ene-1-thiol 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-[[cyclopropyl(methyl)amino]methyl]prop-2-ene-1-thiol?
The IUPAC name of 2-[[cyclopropyl(methyl)amino]methyl]prop-2-ene-1-thiol (CID 103073273) is 2-[[cyclopropyl(methyl)amino]methyl]prop-2-ene-1-thiol.
What is the SMILES notation for 2-[[cyclopropyl(methyl)amino]methyl]prop-2-ene-1-thiol?
The canonical SMILES for 2-[[cyclopropyl(methyl)amino]methyl]prop-2-ene-1-thiol is C=C(CS)CN(C)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(methyl)amino]methyl]prop-2-ene-1-thiol?
The InChIKey is RFYYMPNUQYIUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-7(6-10)5-9(2)8-3-4-8/h8,10H,1,3-6H2,2H3.
What are the key properties of 2-[[cyclopropyl(methyl)amino]methyl]prop-2-ene-1-thiol?
2-[[cyclopropyl(methyl)amino]methyl]prop-2-ene-1-thiol has a molecular weight of 157.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(methyl)amino]methyl]prop-2-ene-1-thiol is sourced from PubChem (CID 103073273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).