(5-hydroxy-3-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone

C13H19N3O4S — CID 63860083

IUPAC(5-hydroxy-3-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2cncc(O)c2)CC1
InChIInChI=1S/C13H19N3O4S/c1-2-7-21(19,20)16-5-3-15(4-6-16)13(18)11-8-12(17)10-14-9-11/h8-10,17H,2-7H2,1H3
InChIKeyQSQJCULKOSEINM-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.28
Rot. Bonds4

About (5-hydroxy-3-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone

(5-hydroxy-3-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone (PubChem CID 63860083) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is (5-hydroxy-3-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-hydroxy-3-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone
PubChem CID63860083
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name(5-hydroxy-3-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2cncc(O)c2)CC1
InChIInChI=1S/C13H19N3O4S/c1-2-7-21(19,20)16-5-3-15(4-6-16)13(18)11-8-12(17)10-14-9-11/h8-10,17H,2-7H2,1H3
InChIKeyQSQJCULKOSEINM-UHFFFAOYSA-N
XLogP0.28
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 63864754
(2-bromo-4-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 103754452
(4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 777474
(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55257685
(4-propylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 47886259
(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103711801
(4-ethylsulfonylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 108570193
phenyl-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798192
(4-chloro-3-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 81230618
(4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804828
(4-fluorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone;oxalic acid
CID 171154802
(5-hydroxy-3-pyridinyl)-(4-propylazepan-1-yl)methanone
CID 63930804

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (5-hydroxy-3-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone (CID 63860083) is (5-hydroxy-3-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-hydroxy-3-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (5-hydroxy-3-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone is CCCS(=O)(=O)N1CCN(C(=O)c2cncc(O)c2)CC1.
What is the InChIKey of (5-hydroxy-3-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The InChIKey is QSQJCULKOSEINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-2-7-21(19,20)16-5-3-15(4-6-16)13(18)11-8-12(17)10-14-9-11/h8-10,17H,2-7H2,1H3.
What are the key properties of (5-hydroxy-3-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
(5-hydroxy-3-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone has a molecular weight of 313.38 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-3-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 63860083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).