N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide

C12H18N2O3S — CID 115071292

IUPACN-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCN1)Nc1ccccc1O
InChIInChI=1S/C12H18N2O3S/c15-12-7-2-1-6-11(12)14-18(16,17)9-10-5-3-4-8-13-10/h1-2,6-7,10,13-15H,3-5,8-9H2
InChIKeyBLSJQWZACGRCEV-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.28
Rot. Bonds4

About N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide

N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide (PubChem CID 115071292) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide
PubChem CID115071292
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCN1)Nc1ccccc1O
InChIInChI=1S/C12H18N2O3S/c15-12-7-2-1-6-11(12)14-18(16,17)9-10-5-3-4-8-13-10/h1-2,6-7,10,13-15H,3-5,8-9H2
InChIKeyBLSJQWZACGRCEV-UHFFFAOYSA-N
XLogP1.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-1-piperidin-2-ylmethanesulfonamide
CID 54974221
N-(2-chlorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54973701
N-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 115071289
N-(2-chloro-4-iodophenyl)-1-piperidin-2-ylmethanesulfonamide
CID 107605719
N-(2-methylsulfanylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 107642155
2-[2-(piperidin-2-ylmethylsulfonyl)ethyl]phenol
CID 115071222
N-(6-methyl-2-pyridinyl)-1-piperidin-2-ylmethanesulfonamide
CID 54973719
1-(azetidin-2-yl)-N-[(2-hydroxyphenyl)methyl]methanesulfonamide
CID 115071276
N-(3-bromo-2-methylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 107626693
N-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-2-ylmethanesulfonamide
CID 107463809
N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 107575648
N-(5-bromo-2-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972028

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide?
The IUPAC name of N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide (CID 115071292) is N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide is O=S(=O)(CC1CCCCN1)Nc1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide?
The InChIKey is BLSJQWZACGRCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c15-12-7-2-1-6-11(12)14-18(16,17)9-10-5-3-4-8-13-10/h1-2,6-7,10,13-15H,3-5,8-9H2.
What are the key properties of N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide?
N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide is sourced from PubChem (CID 115071292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).