N-(2,2-dimethylpropyl)-2-(ethylamino)pyridine-3-sulfonamide

C12H21N3O2S — CID 62147776

IUPACN-(2,2-dimethylpropyl)-2-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ncccc1S(=O)(=O)NCC(C)(C)C
InChIInChI=1S/C12H21N3O2S/c1-5-13-11-10(7-6-8-14-11)18(16,17)15-9-12(2,3)4/h6-8,15H,5,9H2,1-4H3,(H,13,14)
InChIKeyPTKWUXJNSMKYBK-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.84
Rot. Bonds5

About N-(2,2-dimethylpropyl)-2-(ethylamino)pyridine-3-sulfonamide

N-(2,2-dimethylpropyl)-2-(ethylamino)pyridine-3-sulfonamide (PubChem CID 62147776) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-(ethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-(ethylamino)pyridine-3-sulfonamide
PubChem CID62147776
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(2,2-dimethylpropyl)-2-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ncccc1S(=O)(=O)NCC(C)(C)C
InChIInChI=1S/C12H21N3O2S/c1-5-13-11-10(7-6-8-14-11)18(16,17)15-9-12(2,3)4/h6-8,15H,5,9H2,1-4H3,(H,13,14)
InChIKeyPTKWUXJNSMKYBK-UHFFFAOYSA-N
XLogP1.84
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,2-dimethylpropyl)-2-(ethylamino)pyridine-3-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(ethylamino)-N-pentylpyridine-3-sulfonamide
CID 62162989
N-[(4-bromophenyl)methyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62150502
N-[3-(diethylamino)propyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62143133
2-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-sulfonamide
CID 106422783
2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62149939
2-(ethylamino)-N-pyridin-4-ylpyridine-3-sulfonamide
CID 62143000
2-(ethylamino)-N-(2-methyl-3-pyridinyl)pyridine-3-sulfonamide
CID 79043589
2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
CID 55174098
2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957448
2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
CID 82875234
2-(ethylamino)-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide
CID 114389289
2-(ethylamino)-N-(2-methylcyclopropyl)pyridine-3-sulfonamide
CID 62410181

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-(ethylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-(ethylamino)pyridine-3-sulfonamide (CID 62147776) is N-(2,2-dimethylpropyl)-2-(ethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-(ethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-(ethylamino)pyridine-3-sulfonamide is CCNc1ncccc1S(=O)(=O)NCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-(ethylamino)pyridine-3-sulfonamide?
The InChIKey is PTKWUXJNSMKYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-5-13-11-10(7-6-8-14-11)18(16,17)15-9-12(2,3)4/h6-8,15H,5,9H2,1-4H3,(H,13,14).
What are the key properties of N-(2,2-dimethylpropyl)-2-(ethylamino)pyridine-3-sulfonamide?
N-(2,2-dimethylpropyl)-2-(ethylamino)pyridine-3-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-(ethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62147776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).