2-[methyl(propyl)amino]ethanethiol

C6H15NS — CID 57251555

IUPAC2-[methyl(propyl)amino]ethanethiol
SMILESCCCN(C)CCS
InChIInChI=1S/C6H15NS/c1-3-4-7(2)5-6-8/h8H,3-6H2,1-2H3
InChIKeyVELZCYOROVANRQ-UHFFFAOYSA-N
MW133.26 g/mol
LogP1.26
Rot. Bonds4

About 2-[methyl(propyl)amino]ethanethiol

2-[methyl(propyl)amino]ethanethiol (PubChem CID 57251555) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is 2-[methyl(propyl)amino]ethanethiol.

Molecular Properties

Compound Name2-[methyl(propyl)amino]ethanethiol
PubChem CID57251555
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC Name2-[methyl(propyl)amino]ethanethiol
SMILESCCCN(C)CCS
InChIInChI=1S/C6H15NS/c1-3-4-7(2)5-6-8/h8H,3-6H2,1-2H3
InChIKeyVELZCYOROVANRQ-UHFFFAOYSA-N
XLogP1.26
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[methyl(propyl)amino]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

Captamine
CID 25799
2-(Diethylamino)ethanethiol
CID 16032
Ethanethiol, 2-(diethylamino)-, hydrochloride (1:1)
CID 16031
N,N-(2-dipropylamino)ethanethiol
CID 79922
Thiocholine
CID 37851
3-(Diethylamino)-1-propanethiol
CID 97088
2-(Dibutylamino)ethanethiol
CID 79923
Ethanethiol, 2-(diisobutylamino)-
CID 79924
1-Propanethiol, 3-(dibutylamino)-
CID 3058095
3-(Dimethylamino)-1-propanethiol
CID 3016998
Ammonium, diethyl(2-mercaptoethyl)methyl-, iodide
CID 48028
Ethanethiol, 2-(di(2-butynyl)amino)-
CID 3058772

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propyl)amino]ethanethiol?
The IUPAC name of 2-[methyl(propyl)amino]ethanethiol (CID 57251555) is 2-[methyl(propyl)amino]ethanethiol.
What is the SMILES notation for 2-[methyl(propyl)amino]ethanethiol?
The canonical SMILES for 2-[methyl(propyl)amino]ethanethiol is CCCN(C)CCS.
What is the InChIKey of 2-[methyl(propyl)amino]ethanethiol?
The InChIKey is VELZCYOROVANRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS/c1-3-4-7(2)5-6-8/h8H,3-6H2,1-2H3.
What are the key properties of 2-[methyl(propyl)amino]ethanethiol?
2-[methyl(propyl)amino]ethanethiol has a molecular weight of 133.26 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propyl)amino]ethanethiol is sourced from PubChem (CID 57251555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).