(E)-N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-2-phenylethenesulfonamide

C15H22N2O2S — CID 98526139

IUPAC(E)-N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-2-phenylethenesulfonamide
SMILESCN1CCC[C@@H](N(C)S(=O)(=O)/C=C/c2ccccc2)C1
InChIInChI=1S/C15H22N2O2S/c1-16-11-6-9-15(13-16)17(2)20(18,19)12-10-14-7-4-3-5-8-14/h3-5,7-8,10,12,15H,6,9,11,13H2,1-2H3/b12-10+/t15-/m1/s1
InChIKeyNVQXXCNWTRPWNQ-HBIYDYFMSA-N
MW294.42 g/mol
LogP2.01
Rot. Bonds4

About (E)-N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-2-phenylethenesulfonamide

(E)-N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-2-phenylethenesulfonamide (PubChem CID 98526139) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (E)-N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-2-phenylethenesulfonamide
PubChem CID98526139
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name(E)-N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-2-phenylethenesulfonamide
SMILESCN1CCC[C@@H](N(C)S(=O)(=O)/C=C/c2ccccc2)C1
InChIInChI=1S/C15H22N2O2S/c1-16-11-6-9-15(13-16)17(2)20(18,19)12-10-14-7-4-3-5-8-14/h3-5,7-8,10,12,15H,6,9,11,13H2,1-2H3/b12-10+/t15-/m1/s1
InChIKeyNVQXXCNWTRPWNQ-HBIYDYFMSA-N
XLogP2.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-2-phenylethenesulfonamide (CID 98526139) is (E)-N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-2-phenylethenesulfonamide is CN1CCC[C@@H](N(C)S(=O)(=O)/C=C/c2ccccc2)C1.
What is the InChIKey of (E)-N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-2-phenylethenesulfonamide?
The InChIKey is NVQXXCNWTRPWNQ-HBIYDYFMSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-16-11-6-9-15(13-16)17(2)20(18,19)12-10-14-7-4-3-5-8-14/h3-5,7-8,10,12,15H,6,9,11,13H2,1-2H3/b12-10+/t15-/m1/s1.
What are the key properties of (E)-N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-2-phenylethenesulfonamide?
(E)-N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-2-phenylethenesulfonamide has a molecular weight of 294.42 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-2-phenylethenesulfonamide is sourced from PubChem (CID 98526139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).