3-[(E)-3-(4-methoxyphenyl)prop-2-enyl]sulfinylpropan-1-amine

C13H19NO2S — CID 58684386

IUPAC3-[(E)-3-(4-methoxyphenyl)prop-2-enyl]sulfinylpropan-1-amine
SMILESCOc1ccc(/C=C/CS(=O)CCCN)cc1
InChIInChI=1S/C13H19NO2S/c1-16-13-7-5-12(6-8-13)4-2-10-17(15)11-3-9-14/h2,4-8H,3,9-11,14H2,1H3/b4-2+
InChIKeyATUONAOLTHCWOD-DUXPYHPUSA-N
MW253.37 g/mol
LogP1.81
Rot. Bonds7

About 3-[(E)-3-(4-methoxyphenyl)prop-2-enyl]sulfinylpropan-1-amine

3-[(E)-3-(4-methoxyphenyl)prop-2-enyl]sulfinylpropan-1-amine (PubChem CID 58684386) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-[(E)-3-(4-methoxyphenyl)prop-2-enyl]sulfinylpropan-1-amine.

Molecular Properties

Compound Name3-[(E)-3-(4-methoxyphenyl)prop-2-enyl]sulfinylpropan-1-amine
PubChem CID58684386
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name3-[(E)-3-(4-methoxyphenyl)prop-2-enyl]sulfinylpropan-1-amine
SMILESCOc1ccc(/C=C/CS(=O)CCCN)cc1
InChIInChI=1S/C13H19NO2S/c1-16-13-7-5-12(6-8-13)4-2-10-17(15)11-3-9-14/h2,4-8H,3,9-11,14H2,1H3/b4-2+
InChIKeyATUONAOLTHCWOD-DUXPYHPUSA-N
XLogP1.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-aminopropyl (E)-3-(4-methoxyphenyl)prop-2-enoate;hydrochloride
CID 175106666
dimethyl 2-[(Z)-3-(4-methoxyphenyl)prop-2-enyl]propanedioate
CID 102494225
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene
CID 135075727
5-(4-methoxyphenyl)pent-4-enoic acid
CID 54081465
1-methoxy-4-prop-1-enylbenzene
CID 67322568
1-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 10800947
2-[(E)-3-(4-methoxyphenyl)prop-2-enyl]sulfonylethanamine;2-[(E)-3-phenylprop-2-enyl]sulfonylethanamine
CID 158375132
(E)-5-(4-methoxyphenyl)pent-4-en-2-amine
CID 55254782
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
(E)-4-(4-methoxyphenyl)-N,N-dimethylbut-3-enamide
CID 11424540
N-[(Z)-5-(4-methoxyphenyl)pent-4-enyl]acetamide
CID 10331554

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(4-methoxyphenyl)prop-2-enyl]sulfinylpropan-1-amine?
The IUPAC name of 3-[(E)-3-(4-methoxyphenyl)prop-2-enyl]sulfinylpropan-1-amine (CID 58684386) is 3-[(E)-3-(4-methoxyphenyl)prop-2-enyl]sulfinylpropan-1-amine.
What is the SMILES notation for 3-[(E)-3-(4-methoxyphenyl)prop-2-enyl]sulfinylpropan-1-amine?
The canonical SMILES for 3-[(E)-3-(4-methoxyphenyl)prop-2-enyl]sulfinylpropan-1-amine is COc1ccc(/C=C/CS(=O)CCCN)cc1.
What is the InChIKey of 3-[(E)-3-(4-methoxyphenyl)prop-2-enyl]sulfinylpropan-1-amine?
The InChIKey is ATUONAOLTHCWOD-DUXPYHPUSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-16-13-7-5-12(6-8-13)4-2-10-17(15)11-3-9-14/h2,4-8H,3,9-11,14H2,1H3/b4-2+.
What are the key properties of 3-[(E)-3-(4-methoxyphenyl)prop-2-enyl]sulfinylpropan-1-amine?
3-[(E)-3-(4-methoxyphenyl)prop-2-enyl]sulfinylpropan-1-amine has a molecular weight of 253.37 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(4-methoxyphenyl)prop-2-enyl]sulfinylpropan-1-amine is sourced from PubChem (CID 58684386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).