6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-3-sulfonamide

C11H18N2O4S — CID 61248181

IUPAC6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-3-sulfonamide
SMILESCC(C)OCCCNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H18N2O4S/c1-9(2)17-7-3-6-13-18(15,16)10-4-5-11(14)12-8-10/h4-5,8-9,13H,3,6-7H2,1-2H3,(H,12,14)
InChIKeySDZLAJMIELOBDF-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.47
Rot. Bonds7

About 6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-3-sulfonamide

6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-3-sulfonamide (PubChem CID 61248181) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-3-sulfonamide
PubChem CID61248181
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-3-sulfonamide
SMILESCC(C)OCCCNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H18N2O4S/c1-9(2)17-7-3-6-13-18(15,16)10-4-5-11(14)12-8-10/h4-5,8-9,13H,3,6-7H2,1-2H3,(H,12,14)
InChIKeySDZLAJMIELOBDF-UHFFFAOYSA-N
XLogP0.47
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-3-sulfonamide?
The IUPAC name of 6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-3-sulfonamide (CID 61248181) is 6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-3-sulfonamide?
The canonical SMILES for 6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-3-sulfonamide is CC(C)OCCCNS(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-3-sulfonamide?
The InChIKey is SDZLAJMIELOBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-9(2)17-7-3-6-13-18(15,16)10-4-5-11(14)12-8-10/h4-5,8-9,13H,3,6-7H2,1-2H3,(H,12,14).
What are the key properties of 6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-3-sulfonamide?
6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-3-sulfonamide has a molecular weight of 274.34 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 61248181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).