N-phenyl-1-piperidin-2-ylmethanesulfonamide

C12H18N2O2S — CID 54974221

IUPACN-phenyl-1-piperidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCN1)Nc1ccccc1
InChIInChI=1S/C12H18N2O2S/c15-17(16,10-12-8-4-5-9-13-12)14-11-6-2-1-3-7-11/h1-3,6-7,12-14H,4-5,8-10H2
InChIKeyALQSNZLMCAEPEX-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.57
Rot. Bonds4

About N-phenyl-1-piperidin-2-ylmethanesulfonamide

N-phenyl-1-piperidin-2-ylmethanesulfonamide (PubChem CID 54974221) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-phenyl-1-piperidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-phenyl-1-piperidin-2-ylmethanesulfonamide
PubChem CID54974221
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-phenyl-1-piperidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCN1)Nc1ccccc1
InChIInChI=1S/C12H18N2O2S/c15-17(16,10-12-8-4-5-9-13-12)14-11-6-2-1-3-7-11/h1-3,6-7,12-14H,4-5,8-10H2
InChIKeyALQSNZLMCAEPEX-UHFFFAOYSA-N
XLogP1.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 115071292
N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 107575648
N-(2-chlorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54973701
N-(2-chloro-4-iodophenyl)-1-piperidin-2-ylmethanesulfonamide
CID 107605719
N-(6-methyl-2-pyridinyl)-1-piperidin-2-ylmethanesulfonamide
CID 54973719
N-(1-benzothiophen-5-yl)-1-piperidin-2-ylmethanesulfonamide
CID 65450515
N-[3-(dimethylamino)-4-methylphenyl]-1-piperidin-2-ylmethanesulfonamide
CID 115378310
N-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 115071289
N-(1,3-benzothiazol-6-yl)-1-piperidin-2-ylmethanesulfonamide
CID 107806362
1-(azetidin-2-yl)-N-(4-methylphenyl)methanesulfonamide
CID 115071249
N-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide
CID 60865299
1-piperidin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide
CID 62318142

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-piperidin-2-ylmethanesulfonamide?
The IUPAC name of N-phenyl-1-piperidin-2-ylmethanesulfonamide (CID 54974221) is N-phenyl-1-piperidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-phenyl-1-piperidin-2-ylmethanesulfonamide?
The canonical SMILES for N-phenyl-1-piperidin-2-ylmethanesulfonamide is O=S(=O)(CC1CCCCN1)Nc1ccccc1.
What is the InChIKey of N-phenyl-1-piperidin-2-ylmethanesulfonamide?
The InChIKey is ALQSNZLMCAEPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c15-17(16,10-12-8-4-5-9-13-12)14-11-6-2-1-3-7-11/h1-3,6-7,12-14H,4-5,8-10H2.
What are the key properties of N-phenyl-1-piperidin-2-ylmethanesulfonamide?
N-phenyl-1-piperidin-2-ylmethanesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-piperidin-2-ylmethanesulfonamide is sourced from PubChem (CID 54974221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).