(E)-N-(4-methylpiperidin-4-yl)-2-phenylethenesulfonamide

C14H20N2O2S — CID 114696836

IUPAC(E)-N-(4-methylpiperidin-4-yl)-2-phenylethenesulfonamide
SMILESCC1(NS(=O)(=O)/C=C/c2ccccc2)CCNCC1
InChIInChI=1S/C14H20N2O2S/c1-14(8-10-15-11-9-14)16-19(17,18)12-7-13-5-3-2-4-6-13/h2-7,12,15-16H,8-11H2,1H3/b12-7+
InChIKeyKSUVBUKWMCSHIE-KPKJPENVSA-N
MW280.39 g/mol
LogP1.72
Rot. Bonds4

About (E)-N-(4-methylpiperidin-4-yl)-2-phenylethenesulfonamide

(E)-N-(4-methylpiperidin-4-yl)-2-phenylethenesulfonamide (PubChem CID 114696836) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is (E)-N-(4-methylpiperidin-4-yl)-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(4-methylpiperidin-4-yl)-2-phenylethenesulfonamide
PubChem CID114696836
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name(E)-N-(4-methylpiperidin-4-yl)-2-phenylethenesulfonamide
SMILESCC1(NS(=O)(=O)/C=C/c2ccccc2)CCNCC1
InChIInChI=1S/C14H20N2O2S/c1-14(8-10-15-11-9-14)16-19(17,18)12-7-13-5-3-2-4-6-13/h2-7,12,15-16H,8-11H2,1H3/b12-7+
InChIKeyKSUVBUKWMCSHIE-KPKJPENVSA-N
XLogP1.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylcyclohexyl)-2-phenylethenesulfonamide
CID 70606649
(E)-N-methyl-2-phenylethenesulfonamide
CID 2427246
(E)-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylethenesulfonamide
CID 60893294
N-(azetidin-3-yl)-2-phenylethenesulfonamide
CID 77114365
4-[[(E)-2-phenylethenyl]sulfonylamino]oxane-4-carboxylic acid
CID 115291912
(E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide
CID 51169033
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
(E)-2-phenyl-N-propan-2-ylethenesulfonamide
CID 23548846
(3R)-3-[[(E)-2-phenylethenyl]sulfonylamino]oxolane-3-carboxylic acid
CID 129371860
(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
CID 31073494
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylethenesulfonamide
CID 78952322
(E)-N-(3-iodo-4-methylphenyl)-2-phenylethenesulfonamide
CID 26950528

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methylpiperidin-4-yl)-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-(4-methylpiperidin-4-yl)-2-phenylethenesulfonamide (CID 114696836) is (E)-N-(4-methylpiperidin-4-yl)-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-(4-methylpiperidin-4-yl)-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-(4-methylpiperidin-4-yl)-2-phenylethenesulfonamide is CC1(NS(=O)(=O)/C=C/c2ccccc2)CCNCC1.
What is the InChIKey of (E)-N-(4-methylpiperidin-4-yl)-2-phenylethenesulfonamide?
The InChIKey is KSUVBUKWMCSHIE-KPKJPENVSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-14(8-10-15-11-9-14)16-19(17,18)12-7-13-5-3-2-4-6-13/h2-7,12,15-16H,8-11H2,1H3/b12-7+.
What are the key properties of (E)-N-(4-methylpiperidin-4-yl)-2-phenylethenesulfonamide?
(E)-N-(4-methylpiperidin-4-yl)-2-phenylethenesulfonamide has a molecular weight of 280.39 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methylpiperidin-4-yl)-2-phenylethenesulfonamide is sourced from PubChem (CID 114696836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).