N-(1,1-dioxothiolan-3-yl)-1,2-dimethylimidazole-4-sulfonamide

C9H15N3O4S2 — CID 2810678

IUPACN-(1,1-dioxothiolan-3-yl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC2CCS(=O)(=O)C2)cn1C
InChIInChI=1S/C9H15N3O4S2/c1-7-10-9(5-12(7)2)18(15,16)11-8-3-4-17(13,14)6-8/h5,8,11H,3-4,6H2,1-2H3
InChIKeyGLKNVOBMBAXNLP-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.81
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-1,2-dimethylimidazole-4-sulfonamide

N-(1,1-dioxothiolan-3-yl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 2810678) has the molecular formula C9H15N3O4S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID2810678
Molecular FormulaC9H15N3O4S2
Molecular Weight293.37 g/mol
Exact Mass293.05
IUPAC NameN-(1,1-dioxothiolan-3-yl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC2CCS(=O)(=O)C2)cn1C
InChIInChI=1S/C9H15N3O4S2/c1-7-10-9(5-12(7)2)18(15,16)11-8-3-4-17(13,14)6-8/h5,8,11H,3-4,6H2,1-2H3
InChIKeyGLKNVOBMBAXNLP-UHFFFAOYSA-N
XLogP-0.81
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1H-Imidazole-4-sulfonamide, 1-(1-methylethyl)-
CID 71757215
4-((1,2-dimethyl-1H-imidazol-4-yl)sulfonyl)thiomorpholine
CID 72024489
(4aR,7aS)-4-(1-methylimidazol-4-yl)sulfonyl-1-(2-methylpropyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70763680
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 86801792
(4S)-4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazolidine
CID 137334005
4-[(2-Methylsulfonylimidazol-1-yl)methyl]-1,3-thiazolidine
CID 172429158
2-Propyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide
CID 113545497
2-Methyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide
CID 116628274
2-Ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide
CID 116628277
3-(1-Propan-2-ylimidazol-4-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine
CID 126833451
N-cyclopentyl-1-methylimidazole-4-sulfonamide
CID 53299086
N-cyclopropyl-1-methylimidazole-4-sulfonamide
CID 53299087

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-1,2-dimethylimidazole-4-sulfonamide (CID 2810678) is N-(1,1-dioxothiolan-3-yl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NC2CCS(=O)(=O)C2)cn1C.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is GLKNVOBMBAXNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S2/c1-7-10-9(5-12(7)2)18(15,16)11-8-3-4-17(13,14)6-8/h5,8,11H,3-4,6H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-1,2-dimethylimidazole-4-sulfonamide?
N-(1,1-dioxothiolan-3-yl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 293.37 g/mol, XLogP of -0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 2810678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).