(E)-3-(2-methyl-4-methylsulfanylphenyl)prop-2-en-1-amine

C11H15NS — CID 117284218

IUPAC(E)-3-(2-methyl-4-methylsulfanylphenyl)prop-2-en-1-amine
SMILESCSc1ccc(/C=C/CN)c(C)c1
InChIInChI=1S/C11H15NS/c1-9-8-11(13-2)6-5-10(9)4-3-7-12/h3-6,8H,7,12H2,1-2H3/b4-3+
InChIKeyWVUQRYWZIDTQQV-ONEGZZNKSA-N
MW193.31 g/mol
LogP2.69
Rot. Bonds3

About (E)-3-(2-methyl-4-methylsulfanylphenyl)prop-2-en-1-amine

(E)-3-(2-methyl-4-methylsulfanylphenyl)prop-2-en-1-amine (PubChem CID 117284218) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is (E)-3-(2-methyl-4-methylsulfanylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(2-methyl-4-methylsulfanylphenyl)prop-2-en-1-amine
PubChem CID117284218
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name(E)-3-(2-methyl-4-methylsulfanylphenyl)prop-2-en-1-amine
SMILESCSc1ccc(/C=C/CN)c(C)c1
InChIInChI=1S/C11H15NS/c1-9-8-11(13-2)6-5-10(9)4-3-7-12/h3-6,8H,7,12H2,1-2H3/b4-3+
InChIKeyWVUQRYWZIDTQQV-ONEGZZNKSA-N
XLogP2.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methyl-4-methylsulfanylphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(2-methyl-4-methylsulfanylphenyl)prop-2-en-1-amine (CID 117284218) is (E)-3-(2-methyl-4-methylsulfanylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(2-methyl-4-methylsulfanylphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(2-methyl-4-methylsulfanylphenyl)prop-2-en-1-amine is CSc1ccc(/C=C/CN)c(C)c1.
What is the InChIKey of (E)-3-(2-methyl-4-methylsulfanylphenyl)prop-2-en-1-amine?
The InChIKey is WVUQRYWZIDTQQV-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H15NS/c1-9-8-11(13-2)6-5-10(9)4-3-7-12/h3-6,8H,7,12H2,1-2H3/b4-3+.
What are the key properties of (E)-3-(2-methyl-4-methylsulfanylphenyl)prop-2-en-1-amine?
(E)-3-(2-methyl-4-methylsulfanylphenyl)prop-2-en-1-amine has a molecular weight of 193.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methyl-4-methylsulfanylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 117284218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).