2-[[methyl(thiolan-3-yl)amino]methyl]prop-2-ene-1-thiol

C9H17NS2 — CID 103073281

IUPAC2-[[methyl(thiolan-3-yl)amino]methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN(C)C1CCSC1
InChIInChI=1S/C9H17NS2/c1-8(6-11)5-10(2)9-3-4-12-7-9/h9,11H,1,3-7H2,2H3
InChIKeyDAVRXUCUOSFKTI-UHFFFAOYSA-N
MW203.38 g/mol
LogP1.91
Rot. Bonds4

About 2-[[methyl(thiolan-3-yl)amino]methyl]prop-2-ene-1-thiol

2-[[methyl(thiolan-3-yl)amino]methyl]prop-2-ene-1-thiol (PubChem CID 103073281) has the molecular formula C9H17NS2 and a molecular weight of 203.38 g/mol. Its IUPAC name is 2-[[methyl(thiolan-3-yl)amino]methyl]prop-2-ene-1-thiol.

Molecular Properties

Compound Name2-[[methyl(thiolan-3-yl)amino]methyl]prop-2-ene-1-thiol
PubChem CID103073281
Molecular FormulaC9H17NS2
Molecular Weight203.38 g/mol
Exact Mass203.08
IUPAC Name2-[[methyl(thiolan-3-yl)amino]methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN(C)C1CCSC1
InChIInChI=1S/C9H17NS2/c1-8(6-11)5-10(2)9-3-4-12-7-9/h9,11H,1,3-7H2,2H3
InChIKeyDAVRXUCUOSFKTI-UHFFFAOYSA-N
XLogP1.91
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[methyl(thiolan-3-yl)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

4-[Methyl(thiolan-3-yl)amino]but-2-ene-1-thiol
CID 80026091
N'-methyl-2-methylidene-N'-(thiolan-3-yl)propane-1,3-diamine
CID 103069322
2-[(3-Methylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
CID 103073188
2-[[(1,1-Dioxothiolan-3-yl)-methylamino]methyl]prop-2-ene-1-thiol
CID 103073308
2-[[Methyl(2-methylsulfanylethyl)amino]methyl]prop-2-ene-1-thiol
CID 103073535
2-[[Methyl(1-methylsulfanylbutan-2-yl)amino]methyl]prop-2-ene-1-thiol
CID 103073536
2-[[Methyl(1-methylsulfanylpropan-2-yl)amino]methyl]prop-2-ene-1-thiol
CID 103073537
2-[(2,3-Dimethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
CID 103073554
2-[[Methyl(4-methylsulfanylbutan-2-yl)amino]methyl]prop-2-ene-1-thiol
CID 103073557
2-[2-(Diethylamino)ethylsulfanylmethyl]prop-2-ene-1-thiol
CID 103074213

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(thiolan-3-yl)amino]methyl]prop-2-ene-1-thiol?
The IUPAC name of 2-[[methyl(thiolan-3-yl)amino]methyl]prop-2-ene-1-thiol (CID 103073281) is 2-[[methyl(thiolan-3-yl)amino]methyl]prop-2-ene-1-thiol.
What is the SMILES notation for 2-[[methyl(thiolan-3-yl)amino]methyl]prop-2-ene-1-thiol?
The canonical SMILES for 2-[[methyl(thiolan-3-yl)amino]methyl]prop-2-ene-1-thiol is C=C(CS)CN(C)C1CCSC1.
What is the InChIKey of 2-[[methyl(thiolan-3-yl)amino]methyl]prop-2-ene-1-thiol?
The InChIKey is DAVRXUCUOSFKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS2/c1-8(6-11)5-10(2)9-3-4-12-7-9/h9,11H,1,3-7H2,2H3.
What are the key properties of 2-[[methyl(thiolan-3-yl)amino]methyl]prop-2-ene-1-thiol?
2-[[methyl(thiolan-3-yl)amino]methyl]prop-2-ene-1-thiol has a molecular weight of 203.38 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(thiolan-3-yl)amino]methyl]prop-2-ene-1-thiol is sourced from PubChem (CID 103073281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).