phenyl(piperidin-4-yl)methanesulfonamide

C12H18N2O2S — CID 91511350

IUPACphenyl(piperidin-4-yl)methanesulfonamide
SMILESNS(=O)(=O)C(c1ccccc1)C1CCNCC1
InChIInChI=1S/C12H18N2O2S/c13-17(15,16)12(10-4-2-1-3-5-10)11-6-8-14-9-7-11/h1-5,11-12,14H,6-9H2,(H2,13,15,16)
InChIKeyVUBJISUTQULKOS-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.02
Rot. Bonds3

About phenyl(piperidin-4-yl)methanesulfonamide

phenyl(piperidin-4-yl)methanesulfonamide (PubChem CID 91511350) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is phenyl(piperidin-4-yl)methanesulfonamide.

Molecular Properties

Compound Namephenyl(piperidin-4-yl)methanesulfonamide
PubChem CID91511350
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Namephenyl(piperidin-4-yl)methanesulfonamide
SMILESNS(=O)(=O)C(c1ccccc1)C1CCNCC1
InChIInChI=1S/C12H18N2O2S/c13-17(15,16)12(10-4-2-1-3-5-10)11-6-8-14-9-7-11/h1-5,11-12,14H,6-9H2,(H2,13,15,16)
InChIKeyVUBJISUTQULKOS-UHFFFAOYSA-N
XLogP1.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl(piperidin-4-yl)methanesulfonamide?
The IUPAC name of phenyl(piperidin-4-yl)methanesulfonamide (CID 91511350) is phenyl(piperidin-4-yl)methanesulfonamide.
What is the SMILES notation for phenyl(piperidin-4-yl)methanesulfonamide?
The canonical SMILES for phenyl(piperidin-4-yl)methanesulfonamide is NS(=O)(=O)C(c1ccccc1)C1CCNCC1.
What is the InChIKey of phenyl(piperidin-4-yl)methanesulfonamide?
The InChIKey is VUBJISUTQULKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c13-17(15,16)12(10-4-2-1-3-5-10)11-6-8-14-9-7-11/h1-5,11-12,14H,6-9H2,(H2,13,15,16).
What are the key properties of phenyl(piperidin-4-yl)methanesulfonamide?
phenyl(piperidin-4-yl)methanesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(piperidin-4-yl)methanesulfonamide is sourced from PubChem (CID 91511350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).