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

C10H19NS — CID 103073276

IUPAC2-[[cyclopropyl(propyl)amino]methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN(CCC)C1CC1
InChIInChI=1S/C10H19NS/c1-3-6-11(10-4-5-10)7-9(2)8-12/h10,12H,2-8H2,1H3
InChIKeyCIGVIRWKHVVFFV-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.35
Rot. Bonds6

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

2-[[cyclopropyl(propyl)amino]methyl]prop-2-ene-1-thiol (PubChem CID 103073276) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 2-[[cyclopropyl(propyl)amino]methyl]prop-2-ene-1-thiol.

Molecular Properties

Compound Name2-[[cyclopropyl(propyl)amino]methyl]prop-2-ene-1-thiol
PubChem CID103073276
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name2-[[cyclopropyl(propyl)amino]methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN(CCC)C1CC1
InChIInChI=1S/C10H19NS/c1-3-6-11(10-4-5-10)7-9(2)8-12/h10,12H,2-8H2,1H3
InChIKeyCIGVIRWKHVVFFV-UHFFFAOYSA-N
XLogP2.35
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.35
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(propyl)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

Related Compounds

2-[[cyclopentyl(3-methylbutyl)amino]methyl]prop-2-ene-1-thiol
CID 103073511
potassium 3-[cyclopropyl(propyl)amino]prop-1-en-2-yl-trifluoroboranuide
CID 106745699
2-[[cyclopentyl(2-methylpropyl)amino]methyl]prop-2-ene-1-thiol
CID 103073510
N-(2-methylidenebutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 66046934
N-butyl-N-cyclopropyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103069805
N-tert-butyl-N'-butyl-N'-cyclopropyl-2-methylidenepropane-1,3-diamine
CID 103069808
2-[(4-aminocyclohexyl)-propylamino]acetamide
CID 79111803
4-[cyclopropylmethyl(propyl)amino]cyclohexan-1-ol
CID 114762423
N-cyclopropyl-N'-ethyl-N-(3-methylbutyl)-2-methylidenepropane-1,3-diamine
CID 103070074
4-N-(3-methylbut-3-enyl)-4-N-propylcyclohexane-1,4-diamine
CID 114473388
N'-cyclopropyl-N'-(3-methylbutyl)-2-methylidenepropane-1,3-diamine
CID 103070075
2-[cyclododecyl(propyl)amino]acetic acid
CID 65064979

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(propyl)amino]methyl]prop-2-ene-1-thiol?
The IUPAC name of 2-[[cyclopropyl(propyl)amino]methyl]prop-2-ene-1-thiol (CID 103073276) is 2-[[cyclopropyl(propyl)amino]methyl]prop-2-ene-1-thiol.
What is the SMILES notation for 2-[[cyclopropyl(propyl)amino]methyl]prop-2-ene-1-thiol?
The canonical SMILES for 2-[[cyclopropyl(propyl)amino]methyl]prop-2-ene-1-thiol is C=C(CS)CN(CCC)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(propyl)amino]methyl]prop-2-ene-1-thiol?
The InChIKey is CIGVIRWKHVVFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-3-6-11(10-4-5-10)7-9(2)8-12/h10,12H,2-8H2,1H3.
What are the key properties of 2-[[cyclopropyl(propyl)amino]methyl]prop-2-ene-1-thiol?
2-[[cyclopropyl(propyl)amino]methyl]prop-2-ene-1-thiol has a molecular weight of 185.34 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(propyl)amino]methyl]prop-2-ene-1-thiol is sourced from PubChem (CID 103073276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).