N-(3-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide

C10H16N2O3S — CID 43629122

IUPACN-(3-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H16N2O3S/c1-8(2)5-6-12-16(14,15)9-3-4-10(13)11-7-9/h3-4,7-8,12H,5-6H2,1-2H3,(H,11,13)
InChIKeyVNQATBGHCNYXNK-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.70
Rot. Bonds5

About N-(3-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide

N-(3-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 43629122) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-(3-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID43629122
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC NameN-(3-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H16N2O3S/c1-8(2)5-6-12-16(14,15)9-3-4-10(13)11-7-9/h3-4,7-8,12H,5-6H2,1-2H3,(H,11,13)
InChIKeyVNQATBGHCNYXNK-UHFFFAOYSA-N
XLogP0.70
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-2-one
CID 3837315
N,N-diethyl-6-oxo-1,6-dihydropyridine-3-sulfonamide
CID 829843
N,N-dimethyl-6-oxo-1,6-dihydropyridine-3-sulfonamide
CID 2512776
6-hydroxy-N,N-diisopropyl-3-pyridinesulfonamide
CID 829836
N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
CID 55009765
N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
CID 60890469
N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
CID 60959811
N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
CID 60959937
N-methyl-6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-sulfonamide
CID 65532975
6-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-3-sulfonamide
CID 115521683
N-(2,2-difluoroethyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
CID 116316494
2-oxo-N-propan-2-yl-1H-pyridine-4-sulfonamide
CID 20074205

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(3-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 43629122) is N-(3-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(3-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide is CC(C)CCNS(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(3-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is VNQATBGHCNYXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-8(2)5-6-12-16(14,15)9-3-4-10(13)11-7-9/h3-4,7-8,12H,5-6H2,1-2H3,(H,11,13).
What are the key properties of N-(3-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-(3-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 43629122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).