N-[3-(2-methylpropoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide

C12H20N2O4S — CID 61249299

IUPACN-[3-(2-methylpropoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(C)COCCCNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H20N2O4S/c1-10(2)9-18-7-3-6-14-19(16,17)11-4-5-12(15)13-8-11/h4-5,8,10,14H,3,6-7,9H2,1-2H3,(H,13,15)
InChIKeyVQRCKFQTRGHSOW-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.72
Rot. Bonds8

About N-[3-(2-methylpropoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide

N-[3-(2-methylpropoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 61249299) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID61249299
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC NameN-[3-(2-methylpropoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(C)COCCCNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H20N2O4S/c1-10(2)9-18-7-3-6-14-19(16,17)11-4-5-12(15)13-8-11/h4-5,8,10,14H,3,6-7,9H2,1-2H3,(H,13,15)
InChIKeyVQRCKFQTRGHSOW-UHFFFAOYSA-N
XLogP0.72
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.72
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 N-[3-(2-methylpropoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-[3-(2-methylpropoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 61249299) is N-[3-(2-methylpropoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-[3-(2-methylpropoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-[3-(2-methylpropoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide is CC(C)COCCCNS(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[3-(2-methylpropoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is VQRCKFQTRGHSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-10(2)9-18-7-3-6-14-19(16,17)11-4-5-12(15)13-8-11/h4-5,8,10,14H,3,6-7,9H2,1-2H3,(H,13,15).
What are the key properties of N-[3-(2-methylpropoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide?
N-[3-(2-methylpropoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 61249299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).