1-ethyl-2-methyl-N-(1-oxothiolan-1-ylidene)imidazole-4-sulfonamide

C10H17N3O3S2 — CID 146103570

IUPAC1-ethyl-2-methyl-N-(1-oxothiolan-1-ylidene)imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N=S2(=O)CCCC2)nc1C
InChIInChI=1S/C10H17N3O3S2/c1-3-13-8-10(11-9(13)2)18(15,16)12-17(14)6-4-5-7-17/h8H,3-7H2,1-2H3
InChIKeyXYSNPYXFIYXSHJ-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.16
Rot. Bonds3

About 1-ethyl-2-methyl-N-(1-oxothiolan-1-ylidene)imidazole-4-sulfonamide

1-ethyl-2-methyl-N-(1-oxothiolan-1-ylidene)imidazole-4-sulfonamide (PubChem CID 146103570) has the molecular formula C10H17N3O3S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N-(1-oxothiolan-1-ylidene)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N-(1-oxothiolan-1-ylidene)imidazole-4-sulfonamide
PubChem CID146103570
Molecular FormulaC10H17N3O3S2
Molecular Weight291.40 g/mol
Exact Mass291.07
IUPAC Name1-ethyl-2-methyl-N-(1-oxothiolan-1-ylidene)imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N=S2(=O)CCCC2)nc1C
InChIInChI=1S/C10H17N3O3S2/c1-3-13-8-10(11-9(13)2)18(15,16)12-17(14)6-4-5-7-17/h8H,3-7H2,1-2H3
InChIKeyXYSNPYXFIYXSHJ-UHFFFAOYSA-N
XLogP1.16
TPSA81.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 62064992
[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanol
CID 62066251
N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 64591191
1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-2-methylimidazole-4-sulfonamide
CID 65113290
(3S,4R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidine-3,4-diol
CID 79409931
1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide
CID 62657789
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 107848291
N-(cyanomethyl)-1-ethyl-N,2-dimethylimidazole-4-sulfonamide
CID 62064624
2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol
CID 62357127
1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylimidazole-4-sulfonamide
CID 115875744
4-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-7-phenyl-1,4-thiazepane 1,1-dioxide
CID 121192216
N-[2-(aminomethyl)cyclopentyl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 55153288

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N-(1-oxothiolan-1-ylidene)imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-2-methyl-N-(1-oxothiolan-1-ylidene)imidazole-4-sulfonamide (CID 146103570) is 1-ethyl-2-methyl-N-(1-oxothiolan-1-ylidene)imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-2-methyl-N-(1-oxothiolan-1-ylidene)imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-2-methyl-N-(1-oxothiolan-1-ylidene)imidazole-4-sulfonamide is CCn1cc(S(=O)(=O)N=S2(=O)CCCC2)nc1C.
What is the InChIKey of 1-ethyl-2-methyl-N-(1-oxothiolan-1-ylidene)imidazole-4-sulfonamide?
The InChIKey is XYSNPYXFIYXSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S2/c1-3-13-8-10(11-9(13)2)18(15,16)12-17(14)6-4-5-7-17/h8H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-2-methyl-N-(1-oxothiolan-1-ylidene)imidazole-4-sulfonamide?
1-ethyl-2-methyl-N-(1-oxothiolan-1-ylidene)imidazole-4-sulfonamide has a molecular weight of 291.40 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N-(1-oxothiolan-1-ylidene)imidazole-4-sulfonamide is sourced from PubChem (CID 146103570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).