2-[methyl(prop-2-enyl)amino]ethanethiol

C6H13NS — CID 22567655

IUPAC2-[methyl(prop-2-enyl)amino]ethanethiol
SMILESC=CCN(C)CCS
InChIInChI=1S/C6H13NS/c1-3-4-7(2)5-6-8/h3,8H,1,4-6H2,2H3
InChIKeyLONDRZFPNUOQTO-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.03
Rot. Bonds4

About 2-[methyl(prop-2-enyl)amino]ethanethiol

2-[methyl(prop-2-enyl)amino]ethanethiol (PubChem CID 22567655) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 2-[methyl(prop-2-enyl)amino]ethanethiol.

Molecular Properties

Compound Name2-[methyl(prop-2-enyl)amino]ethanethiol
PubChem CID22567655
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name2-[methyl(prop-2-enyl)amino]ethanethiol
SMILESC=CCN(C)CCS
InChIInChI=1S/C6H13NS/c1-3-4-7(2)5-6-8/h3,8H,1,4-6H2,2H3
InChIKeyLONDRZFPNUOQTO-UHFFFAOYSA-N
XLogP1.03
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.03
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(prop-2-enyl)amino]ethanethiol?
The IUPAC name of 2-[methyl(prop-2-enyl)amino]ethanethiol (CID 22567655) is 2-[methyl(prop-2-enyl)amino]ethanethiol.
What is the SMILES notation for 2-[methyl(prop-2-enyl)amino]ethanethiol?
The canonical SMILES for 2-[methyl(prop-2-enyl)amino]ethanethiol is C=CCN(C)CCS.
What is the InChIKey of 2-[methyl(prop-2-enyl)amino]ethanethiol?
The InChIKey is LONDRZFPNUOQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-3-4-7(2)5-6-8/h3,8H,1,4-6H2,2H3.
What are the key properties of 2-[methyl(prop-2-enyl)amino]ethanethiol?
2-[methyl(prop-2-enyl)amino]ethanethiol has a molecular weight of 131.24 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(prop-2-enyl)amino]ethanethiol is sourced from PubChem (CID 22567655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).