4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide

C11H16N4O4S — CID 62876001

IUPAC4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide
SMILESCOc1ncccc1C(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C11H16N4O4S/c1-19-10-9(3-2-4-13-10)11(16)14-5-7-15(8-6-14)20(12,17)18/h2-4H,5-8H2,1H3,(H2,12,17,18)
InChIKeyHKOMQDYZBXYVPF-UHFFFAOYSA-N
MW300.34 g/mol
LogP-0.95
Rot. Bonds3

About 4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide

4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide (PubChem CID 62876001) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide
PubChem CID62876001
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC Name4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide
SMILESCOc1ncccc1C(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C11H16N4O4S/c1-19-10-9(3-2-4-13-10)11(16)14-5-7-15(8-6-14)20(12,17)18/h2-4H,5-8H2,1H3,(H2,12,17,18)
InChIKeyHKOMQDYZBXYVPF-UHFFFAOYSA-N
XLogP-0.95
TPSA105.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 55559458
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 63337490
(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 121184561
2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 62317950
[4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 66201560
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 107160131
[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 91792821
(4-methylsulfonylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 55519855
2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 39488062
(2-methoxy-3-pyridinyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590146
(3,3-difluoroazetidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 122269321

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide (CID 62876001) is 4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide is COc1ncccc1C(=O)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide?
The InChIKey is HKOMQDYZBXYVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S/c1-19-10-9(3-2-4-13-10)11(16)14-5-7-15(8-6-14)20(12,17)18/h2-4H,5-8H2,1H3,(H2,12,17,18).
What are the key properties of 4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide?
4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide has a molecular weight of 300.34 g/mol, XLogP of -0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide is sourced from PubChem (CID 62876001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).