N,N-dimethyl-1-(3-methylbutyl)-6-oxopyridine-3-sulfonamide

C12H20N2O3S — CID 47025893

IUPACN,N-dimethyl-1-(3-methylbutyl)-6-oxopyridine-3-sulfonamide
SMILESCC(C)CCn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C12H20N2O3S/c1-10(2)7-8-14-9-11(5-6-12(14)15)18(16,17)13(3)4/h5-6,9-10H,7-8H2,1-4H3
InChIKeyGEWFVQCILQGVCX-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.14
Rot. Bonds5

About N,N-dimethyl-1-(3-methylbutyl)-6-oxopyridine-3-sulfonamide

N,N-dimethyl-1-(3-methylbutyl)-6-oxopyridine-3-sulfonamide (PubChem CID 47025893) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-methylbutyl)-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-methylbutyl)-6-oxopyridine-3-sulfonamide
PubChem CID47025893
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN,N-dimethyl-1-(3-methylbutyl)-6-oxopyridine-3-sulfonamide
SMILESCC(C)CCn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C12H20N2O3S/c1-10(2)7-8-14-9-11(5-6-12(14)15)18(16,17)13(3)4/h5-6,9-10H,7-8H2,1-4H3
InChIKeyGEWFVQCILQGVCX-UHFFFAOYSA-N
XLogP1.14
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3-methylbutyl)-6-oxopyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-1-(3-methylbutyl)-6-oxopyridine-3-sulfonamide (CID 47025893) is N,N-dimethyl-1-(3-methylbutyl)-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-(3-methylbutyl)-6-oxopyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-(3-methylbutyl)-6-oxopyridine-3-sulfonamide is CC(C)CCn1cc(S(=O)(=O)N(C)C)ccc1=O.
What is the InChIKey of N,N-dimethyl-1-(3-methylbutyl)-6-oxopyridine-3-sulfonamide?
The InChIKey is GEWFVQCILQGVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-10(2)7-8-14-9-11(5-6-12(14)15)18(16,17)13(3)4/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of N,N-dimethyl-1-(3-methylbutyl)-6-oxopyridine-3-sulfonamide?
N,N-dimethyl-1-(3-methylbutyl)-6-oxopyridine-3-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-methylbutyl)-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 47025893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).