[4-methoxy-1-[(E)-2-phenylethenyl]sulfonylpiperidin-2-yl]methanamine

C15H22N2O3S — CID 115963517

IUPAC[4-methoxy-1-[(E)-2-phenylethenyl]sulfonylpiperidin-2-yl]methanamine
SMILESCOC1CCN(S(=O)(=O)/C=C/c2ccccc2)C(CN)C1
InChIInChI=1S/C15H22N2O3S/c1-20-15-7-9-17(14(11-15)12-16)21(18,19)10-8-13-5-3-2-4-6-13/h2-6,8,10,14-15H,7,9,11-12,16H2,1H3/b10-8+
InChIKeyFQVAXHNIKYRSED-CSKARUKUSA-N
MW310.42 g/mol
LogP1.43
Rot. Bonds5

About [4-methoxy-1-[(E)-2-phenylethenyl]sulfonylpiperidin-2-yl]methanamine

[4-methoxy-1-[(E)-2-phenylethenyl]sulfonylpiperidin-2-yl]methanamine (PubChem CID 115963517) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is [4-methoxy-1-[(E)-2-phenylethenyl]sulfonylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-[(E)-2-phenylethenyl]sulfonylpiperidin-2-yl]methanamine
PubChem CID115963517
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name[4-methoxy-1-[(E)-2-phenylethenyl]sulfonylpiperidin-2-yl]methanamine
SMILESCOC1CCN(S(=O)(=O)/C=C/c2ccccc2)C(CN)C1
InChIInChI=1S/C15H22N2O3S/c1-20-15-7-9-17(14(11-15)12-16)21(18,19)10-8-13-5-3-2-4-6-13/h2-6,8,10,14-15H,7,9,11-12,16H2,1H3/b10-8+
InChIKeyFQVAXHNIKYRSED-CSKARUKUSA-N
XLogP1.43
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-[(E)-2-phenylethenyl]sulfonylpiperidin-2-yl]methanamine?
The IUPAC name of [4-methoxy-1-[(E)-2-phenylethenyl]sulfonylpiperidin-2-yl]methanamine (CID 115963517) is [4-methoxy-1-[(E)-2-phenylethenyl]sulfonylpiperidin-2-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-[(E)-2-phenylethenyl]sulfonylpiperidin-2-yl]methanamine?
The canonical SMILES for [4-methoxy-1-[(E)-2-phenylethenyl]sulfonylpiperidin-2-yl]methanamine is COC1CCN(S(=O)(=O)/C=C/c2ccccc2)C(CN)C1.
What is the InChIKey of [4-methoxy-1-[(E)-2-phenylethenyl]sulfonylpiperidin-2-yl]methanamine?
The InChIKey is FQVAXHNIKYRSED-CSKARUKUSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-20-15-7-9-17(14(11-15)12-16)21(18,19)10-8-13-5-3-2-4-6-13/h2-6,8,10,14-15H,7,9,11-12,16H2,1H3/b10-8+.
What are the key properties of [4-methoxy-1-[(E)-2-phenylethenyl]sulfonylpiperidin-2-yl]methanamine?
[4-methoxy-1-[(E)-2-phenylethenyl]sulfonylpiperidin-2-yl]methanamine has a molecular weight of 310.42 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-[(E)-2-phenylethenyl]sulfonylpiperidin-2-yl]methanamine is sourced from PubChem (CID 115963517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).