N-cyclobutyl-6-ethoxy-N-methylpyridine-3-sulfonamide

C12H18N2O3S — CID 84599468

IUPACN-cyclobutyl-6-ethoxy-N-methylpyridine-3-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)C2CCC2)cn1
InChIInChI=1S/C12H18N2O3S/c1-3-17-12-8-7-11(9-13-12)18(15,16)14(2)10-5-4-6-10/h7-10H,3-6H2,1-2H3
InChIKeyOHCXFAPRRDAENC-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.65
Rot. Bonds5

About N-cyclobutyl-6-ethoxy-N-methylpyridine-3-sulfonamide

N-cyclobutyl-6-ethoxy-N-methylpyridine-3-sulfonamide (PubChem CID 84599468) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-cyclobutyl-6-ethoxy-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-6-ethoxy-N-methylpyridine-3-sulfonamide
PubChem CID84599468
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-cyclobutyl-6-ethoxy-N-methylpyridine-3-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)C2CCC2)cn1
InChIInChI=1S/C12H18N2O3S/c1-3-17-12-8-7-11(9-13-12)18(15,16)14(2)10-5-4-6-10/h7-10H,3-6H2,1-2H3
InChIKeyOHCXFAPRRDAENC-UHFFFAOYSA-N
XLogP1.65
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-6-ethoxy-N-methylpyridine-3-sulfonamide?
The IUPAC name of N-cyclobutyl-6-ethoxy-N-methylpyridine-3-sulfonamide (CID 84599468) is N-cyclobutyl-6-ethoxy-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-cyclobutyl-6-ethoxy-N-methylpyridine-3-sulfonamide?
The canonical SMILES for N-cyclobutyl-6-ethoxy-N-methylpyridine-3-sulfonamide is CCOc1ccc(S(=O)(=O)N(C)C2CCC2)cn1.
What is the InChIKey of N-cyclobutyl-6-ethoxy-N-methylpyridine-3-sulfonamide?
The InChIKey is OHCXFAPRRDAENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-17-12-8-7-11(9-13-12)18(15,16)14(2)10-5-4-6-10/h7-10H,3-6H2,1-2H3.
What are the key properties of N-cyclobutyl-6-ethoxy-N-methylpyridine-3-sulfonamide?
N-cyclobutyl-6-ethoxy-N-methylpyridine-3-sulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-6-ethoxy-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 84599468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).