7-methyl-2-(oxan-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide

C11H22N2O3S — CID 115100882

IUPAC7-methyl-2-(oxan-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide
SMILESCC1CNCCN(CC2CCCCO2)S1(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-10-8-12-5-6-13(17(10,14)15)9-11-4-2-3-7-16-11/h10-12H,2-9H2,1H3
InChIKeyGSKCNQFTGIVCIE-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.18
Rot. Bonds2

About 7-methyl-2-(oxan-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide

7-methyl-2-(oxan-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide (PubChem CID 115100882) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 7-methyl-2-(oxan-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide.

Molecular Properties

Compound Name7-methyl-2-(oxan-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide
PubChem CID115100882
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name7-methyl-2-(oxan-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide
SMILESCC1CNCCN(CC2CCCCO2)S1(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-10-8-12-5-6-13(17(10,14)15)9-11-4-2-3-7-16-11/h10-12H,2-9H2,1H3
InChIKeyGSKCNQFTGIVCIE-UHFFFAOYSA-N
XLogP0.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-2-(piperidin-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide
CID 115100885
7-methyl-2-(piperidin-3-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide
CID 115100892
2-(oxolan-2-ylmethyl)-1,2,5-thiadiazocane 1,1-dioxide
CID 117015219
2-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-1,2,5-thiadiazepane 1,1-dioxide
CID 115100852
1-(oxan-2-ylmethyl)piperazine
CID 14981447
2-(oxolan-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 117003050
1-(2-methylpiperazin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 63951169
[1-(oxolan-2-ylmethyl)piperazin-2-yl]methanol
CID 82241239
1-(2-methylpiperazin-1-yl)-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride
CID 119472660
1-[(2R)-2-methylpiperazin-1-yl]-2-(oxolan-2-yl)ethanone
CID 82704997
3-(oxan-2-ylmethyl)pyrrolidine
CID 104680485
3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 63953500

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(oxan-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide?
The IUPAC name of 7-methyl-2-(oxan-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide (CID 115100882) is 7-methyl-2-(oxan-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide.
What is the SMILES notation for 7-methyl-2-(oxan-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide?
The canonical SMILES for 7-methyl-2-(oxan-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide is CC1CNCCN(CC2CCCCO2)S1(=O)=O.
What is the InChIKey of 7-methyl-2-(oxan-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide?
The InChIKey is GSKCNQFTGIVCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-10-8-12-5-6-13(17(10,14)15)9-11-4-2-3-7-16-11/h10-12H,2-9H2,1H3.
What are the key properties of 7-methyl-2-(oxan-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide?
7-methyl-2-(oxan-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide has a molecular weight of 262.37 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(oxan-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide is sourced from PubChem (CID 115100882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).