3,3-dimethyl-5-thiophen-3-yl-1,4-thiazinane 1,1-dioxide

C10H15NO2S2 — CID 66228306

IUPAC3,3-dimethyl-5-thiophen-3-yl-1,4-thiazinane 1,1-dioxide
SMILESCC1(C)CS(=O)(=O)CC(c2ccsc2)N1
InChIInChI=1S/C10H15NO2S2/c1-10(2)7-15(12,13)6-9(11-10)8-3-4-14-5-8/h3-5,9,11H,6-7H2,1-2H3
InChIKeyWXHQKXRPMACSSJ-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.59
Rot. Bonds1

About 3,3-dimethyl-5-thiophen-3-yl-1,4-thiazinane 1,1-dioxide

3,3-dimethyl-5-thiophen-3-yl-1,4-thiazinane 1,1-dioxide (PubChem CID 66228306) has the molecular formula C10H15NO2S2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3,3-dimethyl-5-thiophen-3-yl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3,3-dimethyl-5-thiophen-3-yl-1,4-thiazinane 1,1-dioxide
PubChem CID66228306
Molecular FormulaC10H15NO2S2
Molecular Weight245.37 g/mol
Exact Mass245.05
IUPAC Name3,3-dimethyl-5-thiophen-3-yl-1,4-thiazinane 1,1-dioxide
SMILESCC1(C)CS(=O)(=O)CC(c2ccsc2)N1
InChIInChI=1S/C10H15NO2S2/c1-10(2)7-15(12,13)6-9(11-10)8-3-4-14-5-8/h3-5,9,11H,6-7H2,1-2H3
InChIKeyWXHQKXRPMACSSJ-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-thiophen-3-ylaziridine
CID 172991225
2-methyl-3-thiophen-3-yl-1,4-thiazinane 1,1-dioxide
CID 130756609
6-(3,3-dimethylcyclopentyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 114552417
(2,2-dimethyl-3-thiophen-3-ylcyclopropyl)methanol
CID 130488950
5-methyl-3-(1-methylpiperidin-4-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83243425
1-(1,1-dioxothiolan-3-yl)-3-methyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632756
3-thiophen-3-ylmorpholine
CID 54298164
2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one
CID 82997071
6-thiophen-3-ylpiperidine-2-carboxylic acid
CID 112698967
2,4-dimethyl-3-thiophen-3-ylcyclobutan-1-one
CID 131182395
5-methyl-3-[(1-methylcyclobutyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 114109735
2-thiophen-3-ylpiperidin-4-amine
CID 165483670

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-thiophen-3-yl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3,3-dimethyl-5-thiophen-3-yl-1,4-thiazinane 1,1-dioxide (CID 66228306) is 3,3-dimethyl-5-thiophen-3-yl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3,3-dimethyl-5-thiophen-3-yl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3,3-dimethyl-5-thiophen-3-yl-1,4-thiazinane 1,1-dioxide is CC1(C)CS(=O)(=O)CC(c2ccsc2)N1.
What is the InChIKey of 3,3-dimethyl-5-thiophen-3-yl-1,4-thiazinane 1,1-dioxide?
The InChIKey is WXHQKXRPMACSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S2/c1-10(2)7-15(12,13)6-9(11-10)8-3-4-14-5-8/h3-5,9,11H,6-7H2,1-2H3.
What are the key properties of 3,3-dimethyl-5-thiophen-3-yl-1,4-thiazinane 1,1-dioxide?
3,3-dimethyl-5-thiophen-3-yl-1,4-thiazinane 1,1-dioxide has a molecular weight of 245.37 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-thiophen-3-yl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 66228306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).