4-(1-butan-2-ylimidazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide

C13H23N3O3S2 — CID 71848896

IUPAC4-(1-butan-2-ylimidazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide
SMILESCCC(C)n1cnc(S(=O)(=O)N2CCS(=O)C(C)(C)C2)c1
InChIInChI=1S/C13H23N3O3S2/c1-5-11(2)15-8-12(14-10-15)21(18,19)16-6-7-20(17)13(3,4)9-16/h8,10-11H,5-7,9H2,1-4H3
InChIKeyAEOPUXTVVIZLEB-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.39
Rot. Bonds4

About 4-(1-butan-2-ylimidazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide

4-(1-butan-2-ylimidazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide (PubChem CID 71848896) has the molecular formula C13H23N3O3S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 4-(1-butan-2-ylimidazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(1-butan-2-ylimidazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide
PubChem CID71848896
Molecular FormulaC13H23N3O3S2
Molecular Weight333.48 g/mol
Exact Mass333.12
IUPAC Name4-(1-butan-2-ylimidazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide
SMILESCCC(C)n1cnc(S(=O)(=O)N2CCS(=O)C(C)(C)C2)c1
InChIInChI=1S/C13H23N3O3S2/c1-5-11(2)15-8-12(14-10-15)21(18,19)16-6-7-20(17)13(3,4)9-16/h8,10-11H,5-7,9H2,1-4H3
InChIKeyAEOPUXTVVIZLEB-UHFFFAOYSA-N
XLogP1.39
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(1-butan-2-ylimidazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide with MolForge

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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
4-methyl-1'-((1-methyl-1H-imidazol-4-yl)sulfonyl)-1,4'-bipiperidine
CID 118308389
1-[(1-Ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine
CID 56802168
(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
4-(1-Methylimidazol-4-yl)sulfonyl-1-thia-4-azaspiro[5.5]undecane
CID 71860556
1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide
CID 71969893
4-(1,2-Dimethylimidazol-4-yl)sulfonyl-1-thia-4-azaspiro[5.5]undecane
CID 71975848
1H-Imidazole-4-sulfonamide, 1-(2-methylpropyl)-
CID 75356295
N-(1,1-dioxothiolan-3-yl)-1,2-dimethylimidazole-4-sulfonamide
CID 2810678

Frequently Asked Questions

What is the IUPAC name of 4-(1-butan-2-ylimidazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(1-butan-2-ylimidazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide (CID 71848896) is 4-(1-butan-2-ylimidazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(1-butan-2-ylimidazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(1-butan-2-ylimidazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide is CCC(C)n1cnc(S(=O)(=O)N2CCS(=O)C(C)(C)C2)c1.
What is the InChIKey of 4-(1-butan-2-ylimidazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide?
The InChIKey is AEOPUXTVVIZLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S2/c1-5-11(2)15-8-12(14-10-15)21(18,19)16-6-7-20(17)13(3,4)9-16/h8,10-11H,5-7,9H2,1-4H3.
What are the key properties of 4-(1-butan-2-ylimidazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide?
4-(1-butan-2-ylimidazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide has a molecular weight of 333.48 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butan-2-ylimidazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 71848896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).