N-[2-(hydroxymethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide

C14H20N2O4S — CID 61497891

IUPACN-[2-(hydroxymethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)Nc2ccccc2CO)C1
InChIInChI=1S/C14H20N2O4S/c1-21(19,20)16-8-4-6-11(9-16)14(18)15-13-7-3-2-5-12(13)10-17/h2-3,5,7,11,17H,4,6,8-10H2,1H3,(H,15,18)
InChIKeyUPANJWPURRXOAA-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.79
Rot. Bonds4

About N-[2-(hydroxymethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide

N-[2-(hydroxymethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 61497891) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID61497891
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[2-(hydroxymethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)Nc2ccccc2CO)C1
InChIInChI=1S/C14H20N2O4S/c1-21(19,20)16-8-4-6-11(9-16)14(18)15-13-7-3-2-5-12(13)10-17/h2-3,5,7,11,17H,4,6,8-10H2,1H3,(H,15,18)
InChIKeyUPANJWPURRXOAA-UHFFFAOYSA-N
XLogP0.79
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 45153730
(3S)-1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 33170416
(3R)-1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 1081660
N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 132657722
1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 6472618
1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 60655294
(3S)-1-methylsulfonyl-N-(2-phenoxy-3-pyridinyl)piperidine-3-carboxamide
CID 51942549
N-(2,5-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 17023400
N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 55766233
(3S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 1456841
(3S)-N-(2-bromo-4-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 25490278
N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide
CID 55647051

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide (CID 61497891) is N-[2-(hydroxymethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)Nc2ccccc2CO)C1.
What is the InChIKey of N-[2-(hydroxymethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is UPANJWPURRXOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-21(19,20)16-8-4-6-11(9-16)14(18)15-13-7-3-2-5-12(13)10-17/h2-3,5,7,11,17H,4,6,8-10H2,1H3,(H,15,18).
What are the key properties of N-[2-(hydroxymethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide?
N-[2-(hydroxymethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 61497891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).