N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2,5-dimethylbenzenesulfonamide

C13H20N2O3S — CID 122561460

IUPACN-[(3S,4R)-4-hydroxypiperidin-3-yl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N[C@H]2CNCC[C@H]2O)c1
InChIInChI=1S/C13H20N2O3S/c1-9-3-4-10(2)13(7-9)19(17,18)15-11-8-14-6-5-12(11)16/h3-4,7,11-12,14-16H,5-6,8H2,1-2H3/t11-,12+/m0/s1
InChIKeyMNGCCUNUAJHOMN-NWDGAFQWSA-N
MW284.38 g/mol
LogP0.30
Rot. Bonds3

About N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2,5-dimethylbenzenesulfonamide

N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2,5-dimethylbenzenesulfonamide (PubChem CID 122561460) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-hydroxypiperidin-3-yl]-2,5-dimethylbenzenesulfonamide
PubChem CID122561460
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[(3S,4R)-4-hydroxypiperidin-3-yl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N[C@H]2CNCC[C@H]2O)c1
InChIInChI=1S/C13H20N2O3S/c1-9-3-4-10(2)13(7-9)19(17,18)15-11-8-14-6-5-12(11)16/h3-4,7,11-12,14-16H,5-6,8H2,1-2H3/t11-,12+/m0/s1
InChIKeyMNGCCUNUAJHOMN-NWDGAFQWSA-N
XLogP0.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 55064031
5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725193
2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63623443
N-(2-bromocyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 114297356
2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide
CID 104953272
4-[(2,5-dimethylphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 66240671
methyl 5-methyl-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate
CID 120722598
2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716722
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119986461
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide
CID 107213448
5-cyano-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685043
3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031352

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2,5-dimethylbenzenesulfonamide (CID 122561460) is N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N[C@H]2CNCC[C@H]2O)c1.
What is the InChIKey of N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is MNGCCUNUAJHOMN-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-3-4-10(2)13(7-9)19(17,18)15-11-8-14-6-5-12(11)16/h3-4,7,11-12,14-16H,5-6,8H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2,5-dimethylbenzenesulfonamide?
N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 122561460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).