N-ethyl-3-methylsulfanylprop-2-en-1-amine

C6H13NS — CID 91016985

IUPACN-ethyl-3-methylsulfanylprop-2-en-1-amine
SMILESCCNCC=CSC
InChIInChI=1S/C6H13NS/c1-3-7-5-4-6-8-2/h4,6-7H,3,5H2,1-2H3
InChIKeyRQEMBXBTLKQMSS-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.47
Rot. Bonds4

About N-ethyl-3-methylsulfanylprop-2-en-1-amine

N-ethyl-3-methylsulfanylprop-2-en-1-amine (PubChem CID 91016985) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is N-ethyl-3-methylsulfanylprop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methylsulfanylprop-2-en-1-amine
PubChem CID91016985
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC NameN-ethyl-3-methylsulfanylprop-2-en-1-amine
SMILESCCNCC=CSC
InChIInChI=1S/C6H13NS/c1-3-7-5-4-6-8-2/h4,6-7H,3,5H2,1-2H3
InChIKeyRQEMBXBTLKQMSS-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

Computed Properties (RDKit)

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

Analyze N-ethyl-3-methylsulfanylprop-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
Ethanethiol, 2-(hex-2-en-4-ynylamino)-, (E)-
CID 6447463
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
4-(Prop-2-enylamino)butane-1-thiol
CID 20203382
3-(Prop-2-enylamino)propane-1-thiol
CID 20203402
(E)-3-methylsulfanylprop-2-en-1-amine
CID 55284678
1-(Prop-2-enylamino)ethanethiol
CID 57101483

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylsulfanylprop-2-en-1-amine?
The IUPAC name of N-ethyl-3-methylsulfanylprop-2-en-1-amine (CID 91016985) is N-ethyl-3-methylsulfanylprop-2-en-1-amine.
What is the SMILES notation for N-ethyl-3-methylsulfanylprop-2-en-1-amine?
The canonical SMILES for N-ethyl-3-methylsulfanylprop-2-en-1-amine is CCNCC=CSC.
What is the InChIKey of N-ethyl-3-methylsulfanylprop-2-en-1-amine?
The InChIKey is RQEMBXBTLKQMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-3-7-5-4-6-8-2/h4,6-7H,3,5H2,1-2H3.
What are the key properties of N-ethyl-3-methylsulfanylprop-2-en-1-amine?
N-ethyl-3-methylsulfanylprop-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 N-ethyl-3-methylsulfanylprop-2-en-1-amine is sourced from PubChem (CID 91016985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).