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

C10H16N2O3S2 — CID 114248446

IUPACN-(3-ethylsulfanylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCSCCCNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H16N2O3S2/c1-2-16-7-3-6-12-17(14,15)9-4-5-10(13)11-8-9/h4-5,8,12H,2-3,6-7H2,1H3,(H,11,13)
InChIKeyPTLLHOZKPLZXGN-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.80
Rot. Bonds7

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

N-(3-ethylsulfanylpropyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 114248446) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3-ethylsulfanylpropyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-ethylsulfanylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID114248446
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC NameN-(3-ethylsulfanylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCSCCCNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H16N2O3S2/c1-2-16-7-3-6-12-17(14,15)9-4-5-10(13)11-8-9/h4-5,8,12H,2-3,6-7H2,1H3,(H,11,13)
InChIKeyPTLLHOZKPLZXGN-UHFFFAOYSA-N
XLogP0.80
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.80
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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Related Compounds

6-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-3-sulfonamide
CID 115521683
N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629075
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629431
N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629041
N-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 102907510
N-(3-ethylsulfanylpropyl)-3-(hydroxymethyl)benzenesulfonamide
CID 114248709
N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106011806
N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 60972507
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106421967
N,N-dimethyl-2-[(6-oxo-1H-pyridin-3-yl)sulfonylamino]acetamide
CID 43629293
N-[(1-methylcyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 63831451
N-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 114128815

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(3-ethylsulfanylpropyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 114248446) is N-(3-ethylsulfanylpropyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-ethylsulfanylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(3-ethylsulfanylpropyl)-6-oxo-1H-pyridine-3-sulfonamide is CCSCCCNS(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(3-ethylsulfanylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is PTLLHOZKPLZXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-2-16-7-3-6-12-17(14,15)9-4-5-10(13)11-8-9/h4-5,8,12H,2-3,6-7H2,1H3,(H,11,13).
What are the key properties of N-(3-ethylsulfanylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-(3-ethylsulfanylpropyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 276.38 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylpropyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 114248446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).