(Z)-1-ethylsulfanyl-N-methylprop-1-en-2-amine

C6H13NS — CID 142931781

IUPAC(Z)-1-ethylsulfanyl-N-methylprop-1-en-2-amine
SMILESCCS/C=C(/C)NC
InChIInChI=1S/C6H13NS/c1-4-8-5-6(2)7-3/h5,7H,4H2,1-3H3/b6-5-
InChIKeyQIKHCQHKWRGGKQ-WAYWQWQTSA-N
MW131.24 g/mol
LogP1.82
Rot. Bonds3

About (Z)-1-ethylsulfanyl-N-methylprop-1-en-2-amine

(Z)-1-ethylsulfanyl-N-methylprop-1-en-2-amine (PubChem CID 142931781) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is (Z)-1-ethylsulfanyl-N-methylprop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-ethylsulfanyl-N-methylprop-1-en-2-amine
PubChem CID142931781
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name(Z)-1-ethylsulfanyl-N-methylprop-1-en-2-amine
SMILESCCS/C=C(/C)NC
InChIInChI=1S/C6H13NS/c1-4-8-5-6(2)7-3/h5,7H,4H2,1-3H3/b6-5-
InChIKeyQIKHCQHKWRGGKQ-WAYWQWQTSA-N
XLogP1.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (Z)-1-ethylsulfanyl-N-methylprop-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-1-ethylsulfanyl-N-methylprop-1-en-2-amine?
The IUPAC name of (Z)-1-ethylsulfanyl-N-methylprop-1-en-2-amine (CID 142931781) is (Z)-1-ethylsulfanyl-N-methylprop-1-en-2-amine.
What is the SMILES notation for (Z)-1-ethylsulfanyl-N-methylprop-1-en-2-amine?
The canonical SMILES for (Z)-1-ethylsulfanyl-N-methylprop-1-en-2-amine is CCS/C=C(/C)NC.
What is the InChIKey of (Z)-1-ethylsulfanyl-N-methylprop-1-en-2-amine?
The InChIKey is QIKHCQHKWRGGKQ-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H13NS/c1-4-8-5-6(2)7-3/h5,7H,4H2,1-3H3/b6-5-.
What are the key properties of (Z)-1-ethylsulfanyl-N-methylprop-1-en-2-amine?
(Z)-1-ethylsulfanyl-N-methylprop-1-en-2-amine has a molecular weight of 131.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-ethylsulfanyl-N-methylprop-1-en-2-amine is sourced from PubChem (CID 142931781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).