N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-methoxybenzenesulfonamide

C12H18N2O4S — CID 122564179

IUPACN-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N[C@@H]2CCNC[C@H]2O)c1
InChIInChI=1S/C12H18N2O4S/c1-18-9-3-2-4-10(7-9)19(16,17)14-11-5-6-13-8-12(11)15/h2-4,7,11-15H,5-6,8H2,1H3/t11-,12-/m1/s1
InChIKeyLKHJTQBGHBETQJ-VXGBXAGGSA-N
MW286.35 g/mol
LogP-0.30
Rot. Bonds4

About N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-methoxybenzenesulfonamide

N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-methoxybenzenesulfonamide (PubChem CID 122564179) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-methoxybenzenesulfonamide
PubChem CID122564179
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N[C@@H]2CCNC[C@H]2O)c1
InChIInChI=1S/C12H18N2O4S/c1-18-9-3-2-4-10(7-9)19(16,17)14-11-5-6-13-8-12(11)15/h2-4,7,11-15H,5-6,8H2,1H3/t11-,12-/m1/s1
InChIKeyLKHJTQBGHBETQJ-VXGBXAGGSA-N
XLogP-0.30
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 81259552
N-(2-aminocycloheptyl)-3-methoxybenzenesulfonamide
CID 81259849
3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119967317
4-bromo-3-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724741
3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 55202262
3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120724850
3-(methoxymethyl)-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722944
2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725133
3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724849
3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722663
4-methoxy-3,5-dimethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725107
4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725010

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-methoxybenzenesulfonamide?
The IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-methoxybenzenesulfonamide (CID 122564179) is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-methoxybenzenesulfonamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)N[C@@H]2CCNC[C@H]2O)c1.
What is the InChIKey of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-methoxybenzenesulfonamide?
The InChIKey is LKHJTQBGHBETQJ-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-18-9-3-2-4-10(7-9)19(16,17)14-11-5-6-13-8-12(11)15/h2-4,7,11-15H,5-6,8H2,1H3/t11-,12-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-methoxybenzenesulfonamide?
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-methoxybenzenesulfonamide has a molecular weight of 286.35 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 122564179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).