(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)piperidine

C15H23N3O6S — CID 118769350

IUPAC(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)piperidine
SMILESCOc1cccc(C(=O)N2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)c1O
InChIInChI=1S/C15H23N3O6S/c1-17(2)25(22,23)16-11-7-8-18(9-12(11)19)15(21)10-5-4-6-13(24-3)14(10)20/h4-6,11-12,16,19-20H,7-9H2,1-3H3/t11-,12-/m1/s1
InChIKeyDVOGEPXMTWEVKG-VXGBXAGGSA-N
MW373.43 g/mol
LogP-0.63
Rot. Bonds5

About (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)piperidine

(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)piperidine (PubChem CID 118769350) has the molecular formula C15H23N3O6S and a molecular weight of 373.43 g/mol. Its IUPAC name is (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)piperidine.

Molecular Properties

Compound Name(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)piperidine
PubChem CID118769350
Molecular FormulaC15H23N3O6S
Molecular Weight373.43 g/mol
Exact Mass373.13
IUPAC Name(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)piperidine
SMILESCOc1cccc(C(=O)N2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)c1O
InChIInChI=1S/C15H23N3O6S/c1-17(2)25(22,23)16-11-7-8-18(9-12(11)19)15(21)10-5-4-6-13(24-3)14(10)20/h4-6,11-12,16,19-20H,7-9H2,1-3H3/t11-,12-/m1/s1
InChIKeyDVOGEPXMTWEVKG-VXGBXAGGSA-N
XLogP-0.63
TPSA119.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2-hydroxy-3-methoxyphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498303
2-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidine-1-carbonyl]-3-hydroxypyridine
CID 118769440
1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63007028
[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63615933
(4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 63390939
(2-hydroxy-3-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64599551
2-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3-methoxybenzamide
CID 118777593
1-(2-hydroxy-3-methoxybenzoyl)piperidine-3-carboxylic acid
CID 24705711
(2-hydroxy-3-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 62045617
[4-(1-aminoethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63597089
[2-(bromomethyl)morpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 81212035
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-hydroxy-3-methoxyphenyl)methanone
CID 66210628

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)piperidine?
The IUPAC name of (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)piperidine (CID 118769350) is (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)piperidine.
What is the SMILES notation for (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)piperidine?
The canonical SMILES for (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)piperidine is COc1cccc(C(=O)N2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)c1O.
What is the InChIKey of (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)piperidine?
The InChIKey is DVOGEPXMTWEVKG-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H23N3O6S/c1-17(2)25(22,23)16-11-7-8-18(9-12(11)19)15(21)10-5-4-6-13(24-3)14(10)20/h4-6,11-12,16,19-20H,7-9H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)piperidine?
(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)piperidine has a molecular weight of 373.43 g/mol, XLogP of -0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)piperidine is sourced from PubChem (CID 118769350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).