2,5,5-trimethyl-3-thiophen-2-yl-1,4-thiazinane 1,1-dioxide

C11H17NO2S2 — CID 66229474

IUPAC2,5,5-trimethyl-3-thiophen-2-yl-1,4-thiazinane 1,1-dioxide
SMILESCC1C(c2cccs2)NC(C)(C)CS1(=O)=O
InChIInChI=1S/C11H17NO2S2/c1-8-10(9-5-4-6-15-9)12-11(2,3)7-16(8,13)14/h4-6,8,10,12H,7H2,1-3H3
InChIKeyXLKCJPYKCVEUCE-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.97
Rot. Bonds1

About 2,5,5-trimethyl-3-thiophen-2-yl-1,4-thiazinane 1,1-dioxide

2,5,5-trimethyl-3-thiophen-2-yl-1,4-thiazinane 1,1-dioxide (PubChem CID 66229474) has the molecular formula C11H17NO2S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2,5,5-trimethyl-3-thiophen-2-yl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2,5,5-trimethyl-3-thiophen-2-yl-1,4-thiazinane 1,1-dioxide
PubChem CID66229474
Molecular FormulaC11H17NO2S2
Molecular Weight259.40 g/mol
Exact Mass259.07
IUPAC Name2,5,5-trimethyl-3-thiophen-2-yl-1,4-thiazinane 1,1-dioxide
SMILESCC1C(c2cccs2)NC(C)(C)CS1(=O)=O
InChIInChI=1S/C11H17NO2S2/c1-8-10(9-5-4-6-15-9)12-11(2,3)7-16(8,13)14/h4-6,8,10,12H,7H2,1-3H3
InChIKeyXLKCJPYKCVEUCE-UHFFFAOYSA-N
XLogP1.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5,5-trimethyl-3-thiophen-2-yl-1,4-thiazinane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)methanesulfonamide
CID 3236587
4-fluoro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 3242269
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 6710502
4-(2-Thienylmethyl)-1lambda6,4-thiazinane-1,1-dione
CID 2777268
N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 3240790
N-(1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)-4-fluorobenzenesulfonamide
CID 5310550
5-Methyl-2-(thiophen-2-yl)piperidine
CID 145866918
N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]ethanesulfonamide
CID 3240176
1-(methylsulfonyl)-N-[1-(2-thienyl)propyl]piperidin-4-amine
CID 43628724
1-(1-Methylsulfonylpiperidin-4-yl)-3-(1-thiophen-2-ylpropyl)urea
CID 51089243
N-methyl-3-[1-(thiophen-3-ylmethylamino)ethyl]benzenesulfonamide
CID 56824136
1-(2-Ethylsulfonylethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea
CID 71933688

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-3-thiophen-2-yl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 2,5,5-trimethyl-3-thiophen-2-yl-1,4-thiazinane 1,1-dioxide (CID 66229474) is 2,5,5-trimethyl-3-thiophen-2-yl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 2,5,5-trimethyl-3-thiophen-2-yl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 2,5,5-trimethyl-3-thiophen-2-yl-1,4-thiazinane 1,1-dioxide is CC1C(c2cccs2)NC(C)(C)CS1(=O)=O.
What is the InChIKey of 2,5,5-trimethyl-3-thiophen-2-yl-1,4-thiazinane 1,1-dioxide?
The InChIKey is XLKCJPYKCVEUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S2/c1-8-10(9-5-4-6-15-9)12-11(2,3)7-16(8,13)14/h4-6,8,10,12H,7H2,1-3H3.
What are the key properties of 2,5,5-trimethyl-3-thiophen-2-yl-1,4-thiazinane 1,1-dioxide?
2,5,5-trimethyl-3-thiophen-2-yl-1,4-thiazinane 1,1-dioxide has a molecular weight of 259.40 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-3-thiophen-2-yl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 66229474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).