3-ethylsulfanyl-N-methylprop-2-en-1-amine

C6H13NS — CID 123873113

IUPAC3-ethylsulfanyl-N-methylprop-2-en-1-amine
SMILESCCSC=CCNC
InChIInChI=1S/C6H13NS/c1-3-8-6-4-5-7-2/h4,6-7H,3,5H2,1-2H3
InChIKeyXDTVLEVYIZYVAY-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.47
Rot. Bonds4

About 3-ethylsulfanyl-N-methylprop-2-en-1-amine

3-ethylsulfanyl-N-methylprop-2-en-1-amine (PubChem CID 123873113) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-ethylsulfanyl-N-methylprop-2-en-1-amine
PubChem CID123873113
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name3-ethylsulfanyl-N-methylprop-2-en-1-amine
SMILESCCSC=CCNC
InChIInChI=1S/C6H13NS/c1-3-8-6-4-5-7-2/h4,6-7H,3,5H2,1-2H3
InChIKeyXDTVLEVYIZYVAY-UHFFFAOYSA-N
XLogP1.47
TPSA12.03 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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethylsulfanyl-N-methylprop-2-en-1-amine 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
4-(Methylsulfanyl)but-2-en-1-amine
CID 66045591
3,4-dihydro-2H-1,3-thiazine
CID 19905276
2-Methylthio-dihydro-1,3-thiazine
CID 21416561
Tetrahydro-1,4-thiazepine
CID 58044730
(E)-N-[2-(trifluoromethylsulfanyl)ethyl]but-2-en-1-amine
CID 106429034
N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine
CID 116615241
1-(Prop-2-enylamino)propane-2-thiol
CID 10898753
2-ethenylsulfanyl-N-methylethanamine
CID 54151199
prop-2-enyl N-ethylcarbamodithioate
CID 54301070
(E)-3-methylsulfanylprop-2-en-1-amine
CID 55284678
3-Prop-1-enylsulfanylpropan-1-amine
CID 57101189

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-methylprop-2-en-1-amine?
The IUPAC name of 3-ethylsulfanyl-N-methylprop-2-en-1-amine (CID 123873113) is 3-ethylsulfanyl-N-methylprop-2-en-1-amine.
What is the SMILES notation for 3-ethylsulfanyl-N-methylprop-2-en-1-amine?
The canonical SMILES for 3-ethylsulfanyl-N-methylprop-2-en-1-amine is CCSC=CCNC.
What is the InChIKey of 3-ethylsulfanyl-N-methylprop-2-en-1-amine?
The InChIKey is XDTVLEVYIZYVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-3-8-6-4-5-7-2/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-N-methylprop-2-en-1-amine?
3-ethylsulfanyl-N-methylprop-2-en-1-amine has a molecular weight of 131.24 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-methylprop-2-en-1-amine is sourced from PubChem (CID 123873113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).