(E)-1-(1-aminoethenylsulfanyl)-N-methylprop-1-en-2-amine

C6H12N2S — CID 170097749

IUPAC(E)-1-(1-aminoethenylsulfanyl)-N-methylprop-1-en-2-amine
SMILESC=C(N)S/C=C(\C)NC
InChIInChI=1S/C6H12N2S/c1-5(8-3)4-9-6(2)7/h4,8H,2,7H2,1,3H3/b5-4+
InChIKeyLGEIWUKJVAHYCC-SNAWJCMRSA-N
MW144.24 g/mol
LogP1.23
Rot. Bonds3

About (E)-1-(1-aminoethenylsulfanyl)-N-methylprop-1-en-2-amine

(E)-1-(1-aminoethenylsulfanyl)-N-methylprop-1-en-2-amine (PubChem CID 170097749) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is (E)-1-(1-aminoethenylsulfanyl)-N-methylprop-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-(1-aminoethenylsulfanyl)-N-methylprop-1-en-2-amine
PubChem CID170097749
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name(E)-1-(1-aminoethenylsulfanyl)-N-methylprop-1-en-2-amine
SMILESC=C(N)S/C=C(\C)NC
InChIInChI=1S/C6H12N2S/c1-5(8-3)4-9-6(2)7/h4,8H,2,7H2,1,3H3/b5-4+
InChIKeyLGEIWUKJVAHYCC-SNAWJCMRSA-N
XLogP1.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(1-aminoethenylsulfanyl)-N-methylprop-1-en-2-amine?
The IUPAC name of (E)-1-(1-aminoethenylsulfanyl)-N-methylprop-1-en-2-amine (CID 170097749) is (E)-1-(1-aminoethenylsulfanyl)-N-methylprop-1-en-2-amine.
What is the SMILES notation for (E)-1-(1-aminoethenylsulfanyl)-N-methylprop-1-en-2-amine?
The canonical SMILES for (E)-1-(1-aminoethenylsulfanyl)-N-methylprop-1-en-2-amine is C=C(N)S/C=C(\C)NC.
What is the InChIKey of (E)-1-(1-aminoethenylsulfanyl)-N-methylprop-1-en-2-amine?
The InChIKey is LGEIWUKJVAHYCC-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H12N2S/c1-5(8-3)4-9-6(2)7/h4,8H,2,7H2,1,3H3/b5-4+.
What are the key properties of (E)-1-(1-aminoethenylsulfanyl)-N-methylprop-1-en-2-amine?
(E)-1-(1-aminoethenylsulfanyl)-N-methylprop-1-en-2-amine has a molecular weight of 144.24 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-aminoethenylsulfanyl)-N-methylprop-1-en-2-amine is sourced from PubChem (CID 170097749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).