N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2,5-dimethylthiophene-3-sulfonamide

C12H19NO4S3 — CID 94186742

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2,5-dimethylthiophene-3-sulfonamide
SMILESCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)sc1C
InChIInChI=1S/C12H19NO4S3/c1-4-13(11-5-6-19(14,15)8-11)20(16,17)12-7-9(2)18-10(12)3/h7,11H,4-6,8H2,1-3H3/t11-/m0/s1
InChIKeyWGESLRVSIWGDFZ-NSHDSACASA-N
MW337.49 g/mol
LogP1.56
Rot. Bonds4

About N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2,5-dimethylthiophene-3-sulfonamide

N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 94186742) has the molecular formula C12H19NO4S3 and a molecular weight of 337.49 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2,5-dimethylthiophene-3-sulfonamide
PubChem CID94186742
Molecular FormulaC12H19NO4S3
Molecular Weight337.49 g/mol
Exact Mass337.05
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2,5-dimethylthiophene-3-sulfonamide
SMILESCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)sc1C
InChIInChI=1S/C12H19NO4S3/c1-4-13(11-5-6-19(14,15)8-11)20(16,17)12-7-9(2)18-10(12)3/h7,11H,4-6,8H2,1-3H3/t11-/m0/s1
InChIKeyWGESLRVSIWGDFZ-NSHDSACASA-N
XLogP1.56
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2,5-dimethylthiophene-3-sulfonamide with MolForge

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,5-dimethylthiophene-3-sulfonamide
CID 61232487
N-(azetidin-3-yl)-N-ethyl-2,5-dimethylthiophene-3-sulfonamide
CID 66181491
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3,5,6-tetramethylbenzenesulfonamide
CID 42912908
2,5-dibromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylbenzenesulfonamide
CID 129366084
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 7260446
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzenesulfonamide
CID 51169210
3-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]thiophene-2-carboxylic acid
CID 43242228
4-amino-2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzenesulfonamide
CID 61107982
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(trifluoromethyl)benzenesulfonamide
CID 18170868
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-sulfonamide
CID 60716041
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethylbenzenesulfonamide
CID 129370557
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpyridine-3-sulfonamide
CID 94151657

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2,5-dimethylthiophene-3-sulfonamide (CID 94186742) is N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2,5-dimethylthiophene-3-sulfonamide is CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)sc1C.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is WGESLRVSIWGDFZ-NSHDSACASA-N. The full InChI is InChI=1S/C12H19NO4S3/c1-4-13(11-5-6-19(14,15)8-11)20(16,17)12-7-9(2)18-10(12)3/h7,11H,4-6,8H2,1-3H3/t11-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2,5-dimethylthiophene-3-sulfonamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 337.49 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 94186742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).