1-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide

C11H19N3O2S — CID 106086976

IUPAC1-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)Nc1cccc(C)n1
InChIInChI=1S/C11H19N3O2S/c1-4-12-8-10(3)17(15,16)14-11-7-5-6-9(2)13-11/h5-7,10,12H,4,8H2,1-3H3,(H,13,14)
InChIKeyJLWYTSUGDXKIHB-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.13
Rot. Bonds6

About 1-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide

1-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide (PubChem CID 106086976) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide
PubChem CID106086976
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)Nc1cccc(C)n1
InChIInChI=1S/C11H19N3O2S/c1-4-12-8-10(3)17(15,16)14-11-7-5-6-9(2)13-11/h5-7,10,12H,4,8H2,1-3H3,(H,13,14)
InChIKeyJLWYTSUGDXKIHB-UHFFFAOYSA-N
XLogP1.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide?
The IUPAC name of 1-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide (CID 106086976) is 1-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide?
The canonical SMILES for 1-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide is CCNCC(C)S(=O)(=O)Nc1cccc(C)n1.
What is the InChIKey of 1-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide?
The InChIKey is JLWYTSUGDXKIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-12-8-10(3)17(15,16)14-11-7-5-6-9(2)13-11/h5-7,10,12H,4,8H2,1-3H3,(H,13,14).
What are the key properties of 1-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide?
1-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide is sourced from PubChem (CID 106086976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).