N-(6-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide

C11H19N3O2S — CID 54973693

IUPACN-(6-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCc1cccc(NS(=O)(=O)CCNC(C)C)n1
InChIInChI=1S/C11H19N3O2S/c1-9(2)12-7-8-17(15,16)14-11-6-4-5-10(3)13-11/h4-6,9,12H,7-8H2,1-3H3,(H,13,14)
InChIKeyQXYNHYOJUNHBMR-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.13
Rot. Bonds6

About N-(6-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide

N-(6-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 54973693) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID54973693
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-(6-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCc1cccc(NS(=O)(=O)CCNC(C)C)n1
InChIInChI=1S/C11H19N3O2S/c1-9(2)12-7-8-17(15,16)14-11-6-4-5-10(3)13-11/h4-6,9,12H,7-8H2,1-3H3,(H,13,14)
InChIKeyQXYNHYOJUNHBMR-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

Analyze N-(6-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide (CID 54973693) is N-(6-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide is Cc1cccc(NS(=O)(=O)CCNC(C)C)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is QXYNHYOJUNHBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9(2)12-7-8-17(15,16)14-11-6-4-5-10(3)13-11/h4-6,9,12H,7-8H2,1-3H3,(H,13,14).
What are the key properties of N-(6-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide?
N-(6-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide 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 N-(6-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 54973693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).