2-methyl-3-thiophen-3-yl-1,4-thiazinane 1,1-dioxide

C9H13NO2S2 — CID 130756609

IUPAC2-methyl-3-thiophen-3-yl-1,4-thiazinane 1,1-dioxide
SMILESCC1C(c2ccsc2)NCCS1(=O)=O
InChIInChI=1S/C9H13NO2S2/c1-7-9(8-2-4-13-6-8)10-3-5-14(7,11)12/h2,4,6-7,9-10H,3,5H2,1H3
InChIKeyOYBPCJSLCBPAFM-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.20
Rot. Bonds1

About 2-methyl-3-thiophen-3-yl-1,4-thiazinane 1,1-dioxide

2-methyl-3-thiophen-3-yl-1,4-thiazinane 1,1-dioxide (PubChem CID 130756609) has the molecular formula C9H13NO2S2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-methyl-3-thiophen-3-yl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-methyl-3-thiophen-3-yl-1,4-thiazinane 1,1-dioxide
PubChem CID130756609
Molecular FormulaC9H13NO2S2
Molecular Weight231.34 g/mol
Exact Mass231.04
IUPAC Name2-methyl-3-thiophen-3-yl-1,4-thiazinane 1,1-dioxide
SMILESCC1C(c2ccsc2)NCCS1(=O)=O
InChIInChI=1S/C9H13NO2S2/c1-7-9(8-2-4-13-6-8)10-3-5-14(7,11)12/h2,4,6-7,9-10H,3,5H2,1H3
InChIKeyOYBPCJSLCBPAFM-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-thiophen-3-ylaziridine
CID 172991225
3-thiophen-3-ylpiperazin-2-one
CID 62352453
3-(1-methoxybutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83258634
2,4-dimethyl-3-thiophen-3-ylcyclobutan-1-one
CID 131182395
3,6-dimethyl-2-thiophen-3-ylmorpholine
CID 130834239
3-thiophen-3-ylpyrrolidine;hydrochloride
CID 169498224
(4S)-3-methyl-4-thiophen-3-ylpyrrolidine
CID 142082673
3,3-dimethyl-5-thiophen-3-yl-1,4-thiazinane 1,1-dioxide
CID 66228306
3-[(1-methylpiperidin-4-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83249330
3,5-dimethyl-2-thiophen-3-ylimidazolidin-4-one
CID 83260781
5-methyl-3-(1-methylpiperidin-4-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83243425
3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83255795

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-thiophen-3-yl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 2-methyl-3-thiophen-3-yl-1,4-thiazinane 1,1-dioxide (CID 130756609) is 2-methyl-3-thiophen-3-yl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 2-methyl-3-thiophen-3-yl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 2-methyl-3-thiophen-3-yl-1,4-thiazinane 1,1-dioxide is CC1C(c2ccsc2)NCCS1(=O)=O.
What is the InChIKey of 2-methyl-3-thiophen-3-yl-1,4-thiazinane 1,1-dioxide?
The InChIKey is OYBPCJSLCBPAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S2/c1-7-9(8-2-4-13-6-8)10-3-5-14(7,11)12/h2,4,6-7,9-10H,3,5H2,1H3.
What are the key properties of 2-methyl-3-thiophen-3-yl-1,4-thiazinane 1,1-dioxide?
2-methyl-3-thiophen-3-yl-1,4-thiazinane 1,1-dioxide has a molecular weight of 231.34 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-thiophen-3-yl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 130756609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).