(1S)-1-(4-ethylsulfanylphenyl)prop-2-en-1-amine

C11H15NS — CID 171235699

IUPAC(1S)-1-(4-ethylsulfanylphenyl)prop-2-en-1-amine
SMILESC=C[C@H](N)c1ccc(SCC)cc1
InChIInChI=1S/C11H15NS/c1-3-11(12)9-5-7-10(8-6-9)13-4-2/h3,5-8,11H,1,4,12H2,2H3/t11-/m0/s1
InChIKeyCSBMXSOCVNYIIZ-NSHDSACASA-N
MW193.31 g/mol
LogP2.98
Rot. Bonds4

About (1S)-1-(4-ethylsulfanylphenyl)prop-2-en-1-amine

(1S)-1-(4-ethylsulfanylphenyl)prop-2-en-1-amine (PubChem CID 171235699) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is (1S)-1-(4-ethylsulfanylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-ethylsulfanylphenyl)prop-2-en-1-amine
PubChem CID171235699
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name(1S)-1-(4-ethylsulfanylphenyl)prop-2-en-1-amine
SMILESC=C[C@H](N)c1ccc(SCC)cc1
InChIInChI=1S/C11H15NS/c1-3-11(12)9-5-7-10(8-6-9)13-4-2/h3,5-8,11H,1,4,12H2,2H3/t11-/m0/s1
InChIKeyCSBMXSOCVNYIIZ-NSHDSACASA-N
XLogP2.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-ethylsulfanylphenyl)methanediamine
CID 116939199
1-(4-ethylsulfanylphenyl)pent-4-en-1-amine
CID 106848528
1-ethylsulfanyl-4-hex-5-en-3-ylbenzene
CID 83935882
amino-(4-ethylsulfanylphenyl)methanol
CID 116939661
2-amino-2-(4-ethylsulfanylphenyl)ethanol
CID 77129802
1-(4-ethylsulfanylphenyl)-N',N'-dimethylmethanediamine
CID 116909120
1-(4-chlorophenyl)prop-2-en-1-amine
CID 12987192
1-(4-ethylsulfanylphenyl)pent-4-enylhydrazine
CID 106850536
(1S)-1-(4-tert-butylphenyl)prop-2-en-1-amine;hydrochloride
CID 171221389
1-ethylsulfanyl-4-prop-2-enylbenzene
CID 2758925
1-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine
CID 116933128
2,3-diamino-3-(4-ethylsulfanylphenyl)propan-1-ol
CID 116942412

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-ethylsulfanylphenyl)prop-2-en-1-amine?
The IUPAC name of (1S)-1-(4-ethylsulfanylphenyl)prop-2-en-1-amine (CID 171235699) is (1S)-1-(4-ethylsulfanylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (1S)-1-(4-ethylsulfanylphenyl)prop-2-en-1-amine?
The canonical SMILES for (1S)-1-(4-ethylsulfanylphenyl)prop-2-en-1-amine is C=C[C@H](N)c1ccc(SCC)cc1.
What is the InChIKey of (1S)-1-(4-ethylsulfanylphenyl)prop-2-en-1-amine?
The InChIKey is CSBMXSOCVNYIIZ-NSHDSACASA-N. The full InChI is InChI=1S/C11H15NS/c1-3-11(12)9-5-7-10(8-6-9)13-4-2/h3,5-8,11H,1,4,12H2,2H3/t11-/m0/s1.
What are the key properties of (1S)-1-(4-ethylsulfanylphenyl)prop-2-en-1-amine?
(1S)-1-(4-ethylsulfanylphenyl)prop-2-en-1-amine has a molecular weight of 193.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-ethylsulfanylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 171235699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).