N-(cyclobutylmethyl)-2-oxo-1H-pyridine-4-sulfonamide

C10H14N2O3S — CID 154450587

IUPACN-(cyclobutylmethyl)-2-oxo-1H-pyridine-4-sulfonamide
SMILESO=c1cc(S(=O)(=O)NCC2CCC2)cc[nH]1
InChIInChI=1S/C10H14N2O3S/c13-10-6-9(4-5-11-10)16(14,15)12-7-8-2-1-3-8/h4-6,8,12H,1-3,7H2,(H,11,13)
InChIKeyCTPNVHXVHNCFIR-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.45
Rot. Bonds4

About N-(cyclobutylmethyl)-2-oxo-1H-pyridine-4-sulfonamide

N-(cyclobutylmethyl)-2-oxo-1H-pyridine-4-sulfonamide (PubChem CID 154450587) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-oxo-1H-pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-oxo-1H-pyridine-4-sulfonamide
PubChem CID154450587
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC NameN-(cyclobutylmethyl)-2-oxo-1H-pyridine-4-sulfonamide
SMILESO=c1cc(S(=O)(=O)NCC2CCC2)cc[nH]1
InChIInChI=1S/C10H14N2O3S/c13-10-6-9(4-5-11-10)16(14,15)12-7-8-2-1-3-8/h4-6,8,12H,1-3,7H2,(H,11,13)
InChIKeyCTPNVHXVHNCFIR-UHFFFAOYSA-N
XLogP0.45
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-oxo-1H-pyridine-4-sulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-2-oxo-1H-pyridine-4-sulfonamide (CID 154450587) is N-(cyclobutylmethyl)-2-oxo-1H-pyridine-4-sulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-oxo-1H-pyridine-4-sulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-oxo-1H-pyridine-4-sulfonamide is O=c1cc(S(=O)(=O)NCC2CCC2)cc[nH]1.
What is the InChIKey of N-(cyclobutylmethyl)-2-oxo-1H-pyridine-4-sulfonamide?
The InChIKey is CTPNVHXVHNCFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c13-10-6-9(4-5-11-10)16(14,15)12-7-8-2-1-3-8/h4-6,8,12H,1-3,7H2,(H,11,13).
What are the key properties of N-(cyclobutylmethyl)-2-oxo-1H-pyridine-4-sulfonamide?
N-(cyclobutylmethyl)-2-oxo-1H-pyridine-4-sulfonamide has a molecular weight of 242.30 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-oxo-1H-pyridine-4-sulfonamide is sourced from PubChem (CID 154450587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).