2-(2-prop-2-enylsulfanylethylamino)ethanethiol

C7H15NS2 — CID 101365410

IUPAC2-(2-prop-2-enylsulfanylethylamino)ethanethiol
SMILESC=CCSCCNCCS
InChIInChI=1S/C7H15NS2/c1-2-6-10-7-4-8-3-5-9/h2,8-9H,1,3-7H2
InChIKeyCUKCUOVFTXUBSL-UHFFFAOYSA-N
MW177.34 g/mol
LogP1.42
Rot. Bonds7

About 2-(2-prop-2-enylsulfanylethylamino)ethanethiol

2-(2-prop-2-enylsulfanylethylamino)ethanethiol (PubChem CID 101365410) has the molecular formula C7H15NS2 and a molecular weight of 177.34 g/mol. Its IUPAC name is 2-(2-prop-2-enylsulfanylethylamino)ethanethiol.

Molecular Properties

Compound Name2-(2-prop-2-enylsulfanylethylamino)ethanethiol
PubChem CID101365410
Molecular FormulaC7H15NS2
Molecular Weight177.34 g/mol
Exact Mass177.06
IUPAC Name2-(2-prop-2-enylsulfanylethylamino)ethanethiol
SMILESC=CCSCCNCCS
InChIInChI=1S/C7H15NS2/c1-2-6-10-7-4-8-3-5-9/h2,8-9H,1,3-7H2
InChIKeyCUKCUOVFTXUBSL-UHFFFAOYSA-N
XLogP1.42
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-prop-2-enylsulfanylethylamino)ethanethiol 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

Ethanethiol, 2-allylamino-
CID 201366
Tetrahydro-1,4-thiazepine
CID 58044730
2-fluoro-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427472
2,2,2-trifluoro-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427545
2,2-difluoro-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427794
2-prop-2-enylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106428159
N-(2-ethylsulfanylethyl)prop-2-en-1-amine
CID 62576296
(6Z)-3,4,5,8-tetrahydro-2H-1,4-thiazocine
CID 68602709
3,4,5,8-tetrahydro-2H-1,4-thiazocine
CID 68602710
1-(Prop-2-enylamino)prop-2-ene-1-thiol
CID 173054564
1-prop-2-enylsulfanyl-N-(1-prop-2-enylsulfanylprop-2-enyl)prop-2-en-1-amine
CID 173474477
N-methyl-3-prop-2-enylsulfanylpropan-1-amine
CID 13493112

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enylsulfanylethylamino)ethanethiol?
The IUPAC name of 2-(2-prop-2-enylsulfanylethylamino)ethanethiol (CID 101365410) is 2-(2-prop-2-enylsulfanylethylamino)ethanethiol.
What is the SMILES notation for 2-(2-prop-2-enylsulfanylethylamino)ethanethiol?
The canonical SMILES for 2-(2-prop-2-enylsulfanylethylamino)ethanethiol is C=CCSCCNCCS.
What is the InChIKey of 2-(2-prop-2-enylsulfanylethylamino)ethanethiol?
The InChIKey is CUKCUOVFTXUBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS2/c1-2-6-10-7-4-8-3-5-9/h2,8-9H,1,3-7H2.
What are the key properties of 2-(2-prop-2-enylsulfanylethylamino)ethanethiol?
2-(2-prop-2-enylsulfanylethylamino)ethanethiol has a molecular weight of 177.34 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enylsulfanylethylamino)ethanethiol is sourced from PubChem (CID 101365410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).