N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)pyridine-2-sulfonamide

C11H17N3O4S2 — CID 103303063

IUPACN-(1,1-dioxothiolan-3-yl)-3-(ethylamino)pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H17N3O4S2/c1-2-12-10-4-3-6-13-11(10)20(17,18)14-9-5-7-19(15,16)8-9/h3-4,6,9,12,14H,2,5,7-8H2,1H3
InChIKeyNZJQPPKPFQULHJ-UHFFFAOYSA-N
MW319.41 g/mol
LogP-0.02
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)pyridine-2-sulfonamide

N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)pyridine-2-sulfonamide (PubChem CID 103303063) has the molecular formula C11H17N3O4S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-(ethylamino)pyridine-2-sulfonamide
PubChem CID103303063
Molecular FormulaC11H17N3O4S2
Molecular Weight319.41 g/mol
Exact Mass319.07
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-(ethylamino)pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H17N3O4S2/c1-2-12-10-4-3-6-13-11(10)20(17,18)14-9-5-7-19(15,16)8-9/h3-4,6,9,12,14H,2,5,7-8H2,1H3
InChIKeyNZJQPPKPFQULHJ-UHFFFAOYSA-N
XLogP-0.02
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)pyridine-2-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

N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide
CID 103303691
N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)benzenesulfonamide
CID 62162999
3-(ethylamino)-N-(thian-4-yl)pyridine-2-sulfonamide
CID 103307536
N-(1-cyclopropylpyrrolidin-3-yl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103305291
3-(ethylamino)-N-(oxan-3-yl)pyridine-2-sulfonamide
CID 103305993
N-[(1,1-dioxothiolan-2-yl)methyl]-3-(ethylamino)pyridine-2-sulfonamide
CID 103306610
N-(1,1-dioxothiolan-3-yl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62162827
N-(3-methylcyclobutyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103307276
N-cyclobutyl-3-(methylamino)pyridine-2-sulfonamide
CID 103305744
N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-sulfonamide
CID 63922804
N-(2-cyclopentylethyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103304931
N-(1,1-dioxothiolan-3-yl)-2-hydrazinylbenzenesulfonamide
CID 43454796

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)pyridine-2-sulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)pyridine-2-sulfonamide (CID 103303063) is N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)pyridine-2-sulfonamide is CCNc1cccnc1S(=O)(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)pyridine-2-sulfonamide?
The InChIKey is NZJQPPKPFQULHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S2/c1-2-12-10-4-3-6-13-11(10)20(17,18)14-9-5-7-19(15,16)8-9/h3-4,6,9,12,14H,2,5,7-8H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)pyridine-2-sulfonamide?
N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)pyridine-2-sulfonamide has a molecular weight of 319.41 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103303063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).