2-methyl-1,4-thiazinane 1,1-dioxide

C5H11NO2S — CID 14953860

IUPAC2-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CNCCS1(=O)=O
InChIInChI=1S/C5H11NO2S/c1-5-4-6-2-3-9(5,7)8/h5-6H,2-4H2,1H3
InChIKeySXESUMISQDGBIE-UHFFFAOYSA-N
MW149.21 g/mol
LogP-0.61
Rot. Bonds

About 2-methyl-1,4-thiazinane 1,1-dioxide

2-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 14953860) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is 2-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID14953860
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC Name2-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CNCCS1(=O)=O
InChIInChI=1S/C5H11NO2S/c1-5-4-6-2-3-9(5,7)8/h5-6H,2-4H2,1H3
InChIKeySXESUMISQDGBIE-UHFFFAOYSA-N
XLogP-0.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiomorpholine 1,1-dioxide
CID 6484228
4-(3-Aminopropyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 24728054
Thiomorpholine 1-oxide
CID 12600299
Thiomorpholine, 2-methyl-, 1-oxide
CID 20150280
Thiomorpholine 1,1-dioxide hydrochloride
CID 12324096
3-Methanesulfonylpiperidine
CID 22275823
4-Methanesulfonylpiperidine hydrochloride
CID 23061698
4-(Propane-1-sulfonyl)piperidine hydrochloride
CID 66686902
4-(Ethanesulfonyl)piperidine hydrochloride
CID 67529535
2,2-Dimethyl-1-thiomorpholine-1,1-dione
CID 67980490
4-(Propane-2-sulfonyl)piperidine hydrochloride
CID 71757881
2-Methyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 75421030

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 2-methyl-1,4-thiazinane 1,1-dioxide (CID 14953860) is 2-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 2-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 2-methyl-1,4-thiazinane 1,1-dioxide is CC1CNCCS1(=O)=O.
What is the InChIKey of 2-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is SXESUMISQDGBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-5-4-6-2-3-9(5,7)8/h5-6H,2-4H2,1H3.
What are the key properties of 2-methyl-1,4-thiazinane 1,1-dioxide?
2-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 149.21 g/mol, XLogP of -0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 14953860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).