N-(1,1-dioxothiolan-3-yl)-6-(ethylamino)pyridine-3-sulfonamide

C11H17N3O4S2 — CID 62162827

IUPACN-(1,1-dioxothiolan-3-yl)-6-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C11H17N3O4S2/c1-2-12-11-4-3-10(7-13-11)20(17,18)14-9-5-6-19(15,16)8-9/h3-4,7,9,14H,2,5-6,8H2,1H3,(H,12,13)
InChIKeyWBGJATQYGOEOHF-UHFFFAOYSA-N
MW319.41 g/mol
LogP-0.02
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-6-(ethylamino)pyridine-3-sulfonamide

N-(1,1-dioxothiolan-3-yl)-6-(ethylamino)pyridine-3-sulfonamide (PubChem CID 62162827) has the molecular formula C11H17N3O4S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-6-(ethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-6-(ethylamino)pyridine-3-sulfonamide
PubChem CID62162827
Molecular FormulaC11H17N3O4S2
Molecular Weight319.41 g/mol
Exact Mass319.07
IUPAC NameN-(1,1-dioxothiolan-3-yl)-6-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C11H17N3O4S2/c1-2-12-11-4-3-10(7-13-11)20(17,18)14-9-5-6-19(15,16)8-9/h3-4,7,9,14H,2,5-6,8H2,1H3,(H,12,13)
InChIKeyWBGJATQYGOEOHF-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

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Related Compounds

6-(ethylamino)-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
CID 62149094
6-(ethylamino)-N-(3-methylcyclobutyl)pyridine-3-sulfonamide
CID 113467463
N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103303063
N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)benzenesulfonamide
CID 62162999
6-(ethylamino)-N-(2-ethylcyclohexyl)pyridine-3-sulfonamide
CID 62152931
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 2407943
ethyl 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoate
CID 25035168
N-cyclopropyl-6-(propan-2-ylamino)pyridine-3-sulfonamide
CID 96664604
4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoic acid
CID 2858778
N-cyclopropyl-6-(cyclopropylamino)pyridine-3-sulfonamide
CID 96664227
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62145464

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-6-(ethylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-6-(ethylamino)pyridine-3-sulfonamide (CID 62162827) is N-(1,1-dioxothiolan-3-yl)-6-(ethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-6-(ethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-6-(ethylamino)pyridine-3-sulfonamide is CCNc1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)cn1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-6-(ethylamino)pyridine-3-sulfonamide?
The InChIKey is WBGJATQYGOEOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S2/c1-2-12-11-4-3-10(7-13-11)20(17,18)14-9-5-6-19(15,16)8-9/h3-4,7,9,14H,2,5-6,8H2,1H3,(H,12,13).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-6-(ethylamino)pyridine-3-sulfonamide?
N-(1,1-dioxothiolan-3-yl)-6-(ethylamino)pyridine-3-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)-6-(ethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62162827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).