(E)-2-(4-methylsulfanyloxyphenyl)but-1-en-1-amine

C11H15NOS — CID 143054637

IUPAC(E)-2-(4-methylsulfanyloxyphenyl)but-1-en-1-amine
SMILESCC/C(=C\N)c1ccc(OSC)cc1
InChIInChI=1S/C11H15NOS/c1-3-9(8-12)10-4-6-11(7-5-10)13-14-2/h4-8H,3,12H2,1-2H3/b9-8+
InChIKeyLZVLMIMSIWGBCI-CMDGGOBGSA-N
MW209.31 g/mol
LogP3.05
Rot. Bonds4

About (E)-2-(4-methylsulfanyloxyphenyl)but-1-en-1-amine

(E)-2-(4-methylsulfanyloxyphenyl)but-1-en-1-amine (PubChem CID 143054637) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is (E)-2-(4-methylsulfanyloxyphenyl)but-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-(4-methylsulfanyloxyphenyl)but-1-en-1-amine
PubChem CID143054637
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name(E)-2-(4-methylsulfanyloxyphenyl)but-1-en-1-amine
SMILESCC/C(=C\N)c1ccc(OSC)cc1
InChIInChI=1S/C11H15NOS/c1-3-9(8-12)10-4-6-11(7-5-10)13-14-2/h4-8H,3,12H2,1-2H3/b9-8+
InChIKeyLZVLMIMSIWGBCI-CMDGGOBGSA-N
XLogP3.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-phenylbut-1-en-1-amine
CID 142213019
1-methoxy-4-pent-2-en-3-ylbenzene
CID 85440848
1-methoxy-4-[(Z)-1-(4-methoxyphenyl)but-1-en-2-yl]benzene
CID 22860829
[(Z)-1-methylsulfanylbut-1-en-2-yl]benzene
CID 134933163
(E)-2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-methylsulfanylethenamine
CID 135140978
1-methoxy-4-[(Z)-1-nitrobut-1-en-2-yl]benzene
CID 146168276
[4-[(E)-4-(4-sulfamoyloxyphenyl)hex-3-en-3-yl]phenyl] sulfamate
CID 11384786
methyl 6-[(Z)-pent-2-en-3-yl]naphthalene-2-carboxylate
CID 67158729
5-(4-methoxyphenyl)hepta-2,4-dienoic acid
CID 54040855
methyl (E)-3-[4-(4-methoxyphenyl)phenyl]pent-2-enoate
CID 82543564
(E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one
CID 135075979
3-(4-butanoyloxyphenyl)pent-2-enoic acid
CID 70347835

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methylsulfanyloxyphenyl)but-1-en-1-amine?
The IUPAC name of (E)-2-(4-methylsulfanyloxyphenyl)but-1-en-1-amine (CID 143054637) is (E)-2-(4-methylsulfanyloxyphenyl)but-1-en-1-amine.
What is the SMILES notation for (E)-2-(4-methylsulfanyloxyphenyl)but-1-en-1-amine?
The canonical SMILES for (E)-2-(4-methylsulfanyloxyphenyl)but-1-en-1-amine is CC/C(=C\N)c1ccc(OSC)cc1.
What is the InChIKey of (E)-2-(4-methylsulfanyloxyphenyl)but-1-en-1-amine?
The InChIKey is LZVLMIMSIWGBCI-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H15NOS/c1-3-9(8-12)10-4-6-11(7-5-10)13-14-2/h4-8H,3,12H2,1-2H3/b9-8+.
What are the key properties of (E)-2-(4-methylsulfanyloxyphenyl)but-1-en-1-amine?
(E)-2-(4-methylsulfanyloxyphenyl)but-1-en-1-amine has a molecular weight of 209.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methylsulfanyloxyphenyl)but-1-en-1-amine is sourced from PubChem (CID 143054637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).