N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide

C10H13N3O3S — CID 63662802

IUPACN-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide
SMILESO=C1CCC(NS(=O)(=O)c2cccnc2)CN1
InChIInChI=1S/C10H13N3O3S/c14-10-4-3-8(6-12-10)13-17(15,16)9-2-1-5-11-7-9/h1-2,5,7-8,13H,3-4,6H2,(H,12,14)
InChIKeyCCCBKYUWNVEXIK-UHFFFAOYSA-N
MW255.30 g/mol
LogP-0.36
Rot. Bonds3

About N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide

N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide (PubChem CID 63662802) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide
PubChem CID63662802
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC NameN-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide
SMILESO=C1CCC(NS(=O)(=O)c2cccnc2)CN1
InChIInChI=1S/C10H13N3O3S/c14-10-4-3-8(6-12-10)13-17(15,16)9-2-1-5-11-7-9/h1-2,5,7-8,13H,3-4,6H2,(H,12,14)
InChIKeyCCCBKYUWNVEXIK-UHFFFAOYSA-N
XLogP-0.36
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide?
The IUPAC name of N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide (CID 63662802) is N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide is O=C1CCC(NS(=O)(=O)c2cccnc2)CN1.
What is the InChIKey of N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide?
The InChIKey is CCCBKYUWNVEXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c14-10-4-3-8(6-12-10)13-17(15,16)9-2-1-5-11-7-9/h1-2,5,7-8,13H,3-4,6H2,(H,12,14).
What are the key properties of N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide?
N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide has a molecular weight of 255.30 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 63662802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).