N-ethyl-N-(2-methylpropyl)-6-(propylamino)pyridine-3-sulfonamide

C14H25N3O2S — CID 62143975

IUPACN-ethyl-N-(2-methylpropyl)-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(CC)CC(C)C)cn1
InChIInChI=1S/C14H25N3O2S/c1-5-9-15-14-8-7-13(10-16-14)20(18,19)17(6-2)11-12(3)4/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,15,16)
InChIKeyJXRXBLREMGARMP-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.57
Rot. Bonds8

About N-ethyl-N-(2-methylpropyl)-6-(propylamino)pyridine-3-sulfonamide

N-ethyl-N-(2-methylpropyl)-6-(propylamino)pyridine-3-sulfonamide (PubChem CID 62143975) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-ethyl-N-(2-methylpropyl)-6-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylpropyl)-6-(propylamino)pyridine-3-sulfonamide
PubChem CID62143975
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-ethyl-N-(2-methylpropyl)-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(CC)CC(C)C)cn1
InChIInChI=1S/C14H25N3O2S/c1-5-9-15-14-8-7-13(10-16-14)20(18,19)17(6-2)11-12(3)4/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,15,16)
InChIKeyJXRXBLREMGARMP-UHFFFAOYSA-N
XLogP2.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylpropyl)-6-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-ethyl-N-(2-methylpropyl)-6-(propylamino)pyridine-3-sulfonamide (CID 62143975) is N-ethyl-N-(2-methylpropyl)-6-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2-methylpropyl)-6-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-N-(2-methylpropyl)-6-(propylamino)pyridine-3-sulfonamide is CCCNc1ccc(S(=O)(=O)N(CC)CC(C)C)cn1.
What is the InChIKey of N-ethyl-N-(2-methylpropyl)-6-(propylamino)pyridine-3-sulfonamide?
The InChIKey is JXRXBLREMGARMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-9-15-14-8-7-13(10-16-14)20(18,19)17(6-2)11-12(3)4/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,15,16).
What are the key properties of N-ethyl-N-(2-methylpropyl)-6-(propylamino)pyridine-3-sulfonamide?
N-ethyl-N-(2-methylpropyl)-6-(propylamino)pyridine-3-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylpropyl)-6-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62143975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).