6-oxo-N,N-di(propan-2-yl)-1H-pyridine-3-sulfonamide

C11H18N2O3S — CID 829836

IUPAC6-oxo-N,N-di(propan-2-yl)-1H-pyridine-3-sulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H18N2O3S/c1-8(2)13(9(3)4)17(15,16)10-5-6-11(14)12-7-10/h5-9H,1-4H3,(H,12,14)
InChIKeyMOYADZQBJKIPIJ-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.18
Rot. Bonds4

About 6-oxo-N,N-di(propan-2-yl)-1H-pyridine-3-sulfonamide

6-oxo-N,N-di(propan-2-yl)-1H-pyridine-3-sulfonamide (PubChem CID 829836) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 6-oxo-N,N-di(propan-2-yl)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-oxo-N,N-di(propan-2-yl)-1H-pyridine-3-sulfonamide
PubChem CID829836
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name6-oxo-N,N-di(propan-2-yl)-1H-pyridine-3-sulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H18N2O3S/c1-8(2)13(9(3)4)17(15,16)10-5-6-11(14)12-7-10/h5-9H,1-4H3,(H,12,14)
InChIKeyMOYADZQBJKIPIJ-UHFFFAOYSA-N
XLogP1.18
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N,N-di(propan-2-yl)-1H-pyridine-3-sulfonamide?
The IUPAC name of 6-oxo-N,N-di(propan-2-yl)-1H-pyridine-3-sulfonamide (CID 829836) is 6-oxo-N,N-di(propan-2-yl)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 6-oxo-N,N-di(propan-2-yl)-1H-pyridine-3-sulfonamide?
The canonical SMILES for 6-oxo-N,N-di(propan-2-yl)-1H-pyridine-3-sulfonamide is CC(C)N(C(C)C)S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N,N-di(propan-2-yl)-1H-pyridine-3-sulfonamide?
The InChIKey is MOYADZQBJKIPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8(2)13(9(3)4)17(15,16)10-5-6-11(14)12-7-10/h5-9H,1-4H3,(H,12,14).
What are the key properties of 6-oxo-N,N-di(propan-2-yl)-1H-pyridine-3-sulfonamide?
6-oxo-N,N-di(propan-2-yl)-1H-pyridine-3-sulfonamide has a molecular weight of 258.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N,N-di(propan-2-yl)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 829836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).