N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide

C10H17N3O4S2 — CID 70739115

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide
SMILESCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C10H17N3O4S2/c1-3-13(9-4-5-18(14,15)7-9)19(16,17)10-6-12(2)8-11-10/h6,8-9H,3-5,7H2,1-2H3
InChIKeyXQZZGRUGKIFVBH-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.38
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide (PubChem CID 70739115) has the molecular formula C10H17N3O4S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide
PubChem CID70739115
Molecular FormulaC10H17N3O4S2
Molecular Weight307.40 g/mol
Exact Mass307.07
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide
SMILESCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C10H17N3O4S2/c1-3-13(9-4-5-18(14,15)7-9)19(16,17)10-6-12(2)8-11-10/h6,8-9H,3-5,7H2,1-2H3
InChIKeyXQZZGRUGKIFVBH-UHFFFAOYSA-N
XLogP-0.38
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
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
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(4aR*,7aS*)-1-(3-methyl-2-buten-1-yl)-4-[(1-methyl-1H-imidazol-4-yl)sulfonyl]octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70722834
(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
8-((1-methyl-1H-imidazol-4-yl)sulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 71806338
1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide
CID 71969893
N-(1,1-dioxothiolan-3-yl)-1,2-dimethylimidazole-4-sulfonamide
CID 2810678
1-Methyl-4-pyrrolidin-1-ylsulfonylimidazole
CID 20958597
N-ethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide
CID 75388252
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
4-{[3-(fluoromethyl)pyrrolidin-1-yl]sulfonyl}-1-(propan-2-yl)-1H-imidazole
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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide (CID 70739115) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide is CCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide?
The InChIKey is XQZZGRUGKIFVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S2/c1-3-13(9-4-5-18(14,15)7-9)19(16,17)10-6-12(2)8-11-10/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide has a molecular weight of 307.40 g/mol, XLogP of -0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 70739115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).