(E)-N,N-dimethyl-3-methylsulfanylprop-2-en-1-amine

C6H13NS — CID 138600804

IUPAC(E)-N,N-dimethyl-3-methylsulfanylprop-2-en-1-amine
SMILESCS/C=C/CN(C)C
InChIInChI=1S/C6H13NS/c1-7(2)5-4-6-8-3/h4,6H,5H2,1-3H3/b6-4+
InChIKeyRLGAIDFWIHSCBA-GQCTYLIASA-N
MW131.24 g/mol
LogP1.42
Rot. Bonds3

About (E)-N,N-dimethyl-3-methylsulfanylprop-2-en-1-amine

(E)-N,N-dimethyl-3-methylsulfanylprop-2-en-1-amine (PubChem CID 138600804) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-methylsulfanylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-methylsulfanylprop-2-en-1-amine
PubChem CID138600804
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name(E)-N,N-dimethyl-3-methylsulfanylprop-2-en-1-amine
SMILESCS/C=C/CN(C)C
InChIInChI=1S/C6H13NS/c1-7(2)5-4-6-8-3/h4,6H,5H2,1-3H3/b6-4+
InChIKeyRLGAIDFWIHSCBA-GQCTYLIASA-N
XLogP1.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-3-methylsulfanylprop-2-en-1-amine?
The IUPAC name of (E)-N,N-dimethyl-3-methylsulfanylprop-2-en-1-amine (CID 138600804) is (E)-N,N-dimethyl-3-methylsulfanylprop-2-en-1-amine.
What is the SMILES notation for (E)-N,N-dimethyl-3-methylsulfanylprop-2-en-1-amine?
The canonical SMILES for (E)-N,N-dimethyl-3-methylsulfanylprop-2-en-1-amine is CS/C=C/CN(C)C.
What is the InChIKey of (E)-N,N-dimethyl-3-methylsulfanylprop-2-en-1-amine?
The InChIKey is RLGAIDFWIHSCBA-GQCTYLIASA-N. The full InChI is InChI=1S/C6H13NS/c1-7(2)5-4-6-8-3/h4,6H,5H2,1-3H3/b6-4+.
What are the key properties of (E)-N,N-dimethyl-3-methylsulfanylprop-2-en-1-amine?
(E)-N,N-dimethyl-3-methylsulfanylprop-2-en-1-amine has a molecular weight of 131.24 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-methylsulfanylprop-2-en-1-amine is sourced from PubChem (CID 138600804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).