[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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Related Compounds

(4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine
CID 120718734
[1-(2,6-dichlorophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120718815
[4-methoxy-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine
CID 112622437
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonylpropanoic acid
CID 112622457
[1-(5-chloro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120718976
[4-methoxy-1-(2-methoxyethylsulfonyl)piperidin-2-yl]methanamine
CID 112622474
(2S)-2-(benzenesulfonylmethyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 97415020
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine
CID 120718968
[1-[4-[(dimethylamino)methyl]phenyl]sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120876159
[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine
CID 120718928
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonylbutanenitrile
CID 112622473
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 115963360

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).