[1-(4-methoxy-2-prop-1-en-2-ylphenyl)propylideneamino] methanesulfonate

C14H19NO4S — CID 139841466

IUPAC[1-(4-methoxy-2-prop-1-en-2-ylphenyl)propylideneamino] methanesulfonate
SMILESC=C(C)c1cc(OC)ccc1C(CC)=NOS(C)(=O)=O
InChIInChI=1S/C14H19NO4S/c1-6-14(15-19-20(5,16)17)12-8-7-11(18-4)9-13(12)10(2)3/h7-9H,2,6H2,1,3-5H3
InChIKeyDLCBFNQBUPSCID-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.82
Rot. Bonds6

About [1-(4-methoxy-2-prop-1-en-2-ylphenyl)propylideneamino] methanesulfonate

[1-(4-methoxy-2-prop-1-en-2-ylphenyl)propylideneamino] methanesulfonate (PubChem CID 139841466) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is [1-(4-methoxy-2-prop-1-en-2-ylphenyl)propylideneamino] methanesulfonate.

Molecular Properties

Compound Name[1-(4-methoxy-2-prop-1-en-2-ylphenyl)propylideneamino] methanesulfonate
PubChem CID139841466
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name[1-(4-methoxy-2-prop-1-en-2-ylphenyl)propylideneamino] methanesulfonate
SMILESC=C(C)c1cc(OC)ccc1C(CC)=NOS(C)(=O)=O
InChIInChI=1S/C14H19NO4S/c1-6-14(15-19-20(5,16)17)12-8-7-11(18-4)9-13(12)10(2)3/h7-9H,2,6H2,1,3-5H3
InChIKeyDLCBFNQBUPSCID-UHFFFAOYSA-N
XLogP2.82
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene
CID 70232732
1-ethyl-4-methoxy-2-prop-1-en-2-ylbenzene
CID 70233927
4-methoxy-2-methyl-1-prop-1-en-2-ylbenzene
CID 90442837
N-(4-methoxy-2-prop-1-en-2-ylphenyl)methanimine
CID 145260845
CID 58079030
CID 58079030
[4-(4-methoxyphenyl)but-3-en-2-ylideneamino] methanesulfonate
CID 141018323
4-methoxy-1-nitro-2-prop-1-en-2-ylbenzene
CID 53341761
[(Z)-[cyano-(4-methoxyphenyl)methylidene]amino] methanesulfonate
CID 15404364
2-fluoro-4-(4-methoxyphenyl)-1-prop-1-en-2-ylbenzene
CID 123711032
(4-methoxyphenyl) 2-methylprop-2-ene-1-sulfonate
CID 71390856
N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 135647727
(Z)-N-methoxy-1-(3-methoxyphenyl)propan-1-imine
CID 20642400

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxy-2-prop-1-en-2-ylphenyl)propylideneamino] methanesulfonate?
The IUPAC name of [1-(4-methoxy-2-prop-1-en-2-ylphenyl)propylideneamino] methanesulfonate (CID 139841466) is [1-(4-methoxy-2-prop-1-en-2-ylphenyl)propylideneamino] methanesulfonate.
What is the SMILES notation for [1-(4-methoxy-2-prop-1-en-2-ylphenyl)propylideneamino] methanesulfonate?
The canonical SMILES for [1-(4-methoxy-2-prop-1-en-2-ylphenyl)propylideneamino] methanesulfonate is C=C(C)c1cc(OC)ccc1C(CC)=NOS(C)(=O)=O.
What is the InChIKey of [1-(4-methoxy-2-prop-1-en-2-ylphenyl)propylideneamino] methanesulfonate?
The InChIKey is DLCBFNQBUPSCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-6-14(15-19-20(5,16)17)12-8-7-11(18-4)9-13(12)10(2)3/h7-9H,2,6H2,1,3-5H3.
What are the key properties of [1-(4-methoxy-2-prop-1-en-2-ylphenyl)propylideneamino] methanesulfonate?
[1-(4-methoxy-2-prop-1-en-2-ylphenyl)propylideneamino] methanesulfonate has a molecular weight of 297.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxy-2-prop-1-en-2-ylphenyl)propylideneamino] methanesulfonate is sourced from PubChem (CID 139841466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).