(3-hydroxy-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone

C11H15N3O4S — CID 80706680

IUPAC(3-hydroxy-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2ccncc2O)CC1
InChIInChI=1S/C11H15N3O4S/c1-19(17,18)14-6-4-13(5-7-14)11(16)9-2-3-12-8-10(9)15/h2-3,8,15H,4-7H2,1H3
InChIKeyGOPCRDQQEYDXAG-UHFFFAOYSA-N
MW285.32 g/mol
LogP-0.50
Rot. Bonds2

About (3-hydroxy-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone

(3-hydroxy-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 80706680) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is (3-hydroxy-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID80706680
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name(3-hydroxy-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2ccncc2O)CC1
InChIInChI=1S/C11H15N3O4S/c1-19(17,18)14-6-4-13(5-7-14)11(16)9-2-3-12-8-10(9)15/h2-3,8,15H,4-7H2,1H3
InChIKeyGOPCRDQQEYDXAG-UHFFFAOYSA-N
XLogP-0.50
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-hydroxy-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 80706861
(3-hydroxy-4-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 80707017
(5-chloro-2-hydroxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47122991
(3-hydroxy-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 80718021
(2-amino-3-fluoro-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 105386166
[4-(1-aminopentan-2-yl)piperazin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81439177
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-hydroxy-4-pyridinyl)methanone
CID 81442594
(4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 80706943
(2-bromophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 1244172
1-methyl-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrazole-3-carboxylic acid
CID 19624124
(3-fluoro-4-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 115646331
(3-hydroxy-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 80706708

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (3-hydroxy-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 80706680) is (3-hydroxy-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-hydroxy-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (3-hydroxy-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone is CS(=O)(=O)N1CCN(C(=O)c2ccncc2O)CC1.
What is the InChIKey of (3-hydroxy-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is GOPCRDQQEYDXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-19(17,18)14-6-4-13(5-7-14)11(16)9-2-3-12-8-10(9)15/h2-3,8,15H,4-7H2,1H3.
What are the key properties of (3-hydroxy-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(3-hydroxy-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 285.32 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 80706680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).