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

C10H13NS — CID 117278212

IUPAC(E)-3-(2-methylsulfanylphenyl)prop-2-en-1-amine
SMILESCSc1ccccc1/C=C/CN
InChIInChI=1S/C10H13NS/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-7H,8,11H2,1H3/b6-4+
InChIKeyAUXAOFPGTGRKSR-GQCTYLIASA-N
MW179.29 g/mol
LogP2.38
Rot. Bonds3

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

(E)-3-(2-methylsulfanylphenyl)prop-2-en-1-amine (PubChem CID 117278212) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is (E)-3-(2-methylsulfanylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(2-methylsulfanylphenyl)prop-2-en-1-amine
PubChem CID117278212
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name(E)-3-(2-methylsulfanylphenyl)prop-2-en-1-amine
SMILESCSc1ccccc1/C=C/CN
InChIInChI=1S/C10H13NS/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-7H,8,11H2,1H3/b6-4+
InChIKeyAUXAOFPGTGRKSR-GQCTYLIASA-N
XLogP2.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylsulfanylphenyl)but-3-en-1-amine
CID 170486510
(E)-3-(5-chloro-2-methylsulfanylphenyl)prop-2-en-1-amine
CID 117304872
(E)-3-(2,5-difluoro-4-methylsulfanylphenyl)prop-2-en-1-amine
CID 117306899
2-(3-aminoprop-1-enyl)aniline
CID 67152713
(E)-3-[2-(2-methylpropyl)phenyl]prop-2-en-1-amine
CID 118428912
3-(2-methylsulfonylphenyl)prop-2-en-1-amine
CID 131406462
1-[2-(3-aminoprop-1-enyl)phenyl]ethanone
CID 169463496
(E)-3-[2-[(dimethylamino)methyl]phenyl]prop-2-en-1-amine
CID 117282065
(E)-3-[2-(fluoromethyl)phenyl]prop-2-en-1-amine
CID 117276329
(E)-3-(2-methyl-4-methylsulfanylphenyl)prop-2-en-1-amine
CID 117284218
(E)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 54775943
3-[(E)-3-aminoprop-1-enyl]-2-methylphenol
CID 117276201

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methylsulfanylphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(2-methylsulfanylphenyl)prop-2-en-1-amine (CID 117278212) is (E)-3-(2-methylsulfanylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(2-methylsulfanylphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(2-methylsulfanylphenyl)prop-2-en-1-amine is CSc1ccccc1/C=C/CN.
What is the InChIKey of (E)-3-(2-methylsulfanylphenyl)prop-2-en-1-amine?
The InChIKey is AUXAOFPGTGRKSR-GQCTYLIASA-N. The full InChI is InChI=1S/C10H13NS/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-7H,8,11H2,1H3/b6-4+.
What are the key properties of (E)-3-(2-methylsulfanylphenyl)prop-2-en-1-amine?
(E)-3-(2-methylsulfanylphenyl)prop-2-en-1-amine has a molecular weight of 179.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methylsulfanylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 117278212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).