2-(2-methylpropyl)-1,2,6-thiadiazinane 1,1-dioxide

C7H16N2O2S — CID 58799600

IUPAC2-(2-methylpropyl)-1,2,6-thiadiazinane 1,1-dioxide
SMILESCC(C)CN1CCCNS1(=O)=O
InChIInChI=1S/C7H16N2O2S/c1-7(2)6-9-5-3-4-8-12(9,10)11/h7-8H,3-6H2,1-2H3
InChIKeyIMSBBPZUUGCMCN-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.18
Rot. Bonds2

About 2-(2-methylpropyl)-1,2,6-thiadiazinane 1,1-dioxide

2-(2-methylpropyl)-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 58799600) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-(2-methylpropyl)-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID58799600
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name2-(2-methylpropyl)-1,2,6-thiadiazinane 1,1-dioxide
SMILESCC(C)CN1CCCNS1(=O)=O
InChIInChI=1S/C7H16N2O2S/c1-7(2)6-9-5-3-4-8-12(9,10)11/h7-8H,3-6H2,1-2H3
InChIKeyIMSBBPZUUGCMCN-UHFFFAOYSA-N
XLogP0.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylpropyl)-1,2,6-thiadiazocane 1,1-dioxide
CID 117015143
2-(2-bromoethyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 130663119
2-(2-methylpropyl)-1,2,5-thiadiazocane 1,1-dioxide
CID 117015213
(E)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)but-2-enoic acid
CID 131233401
2-(oxolan-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 117003050
4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazocane 1,1-dioxide
CID 117016561
methane;1-(2-methylpropyl)-1,3-diazinan-2-one
CID 158406358
4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazepane 1,1-dioxide
CID 117016679
2-(2-methylpropyl)-4,5-dihydro-3H-1λ6,2,5-benzothiadiazepine 1,1-dioxide
CID 117015608
2-(2-ethylphenyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 117003072
1-methyl-4-(2-methylpropyl)-1,4-diazepane
CID 58719890
(2S)-2-[2-(2-methylpropyl)-1,1-dioxo-1,2,5-thiadiazinan-5-yl]propanoic acid
CID 58738115

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 2-(2-methylpropyl)-1,2,6-thiadiazinane 1,1-dioxide (CID 58799600) is 2-(2-methylpropyl)-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 2-(2-methylpropyl)-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 2-(2-methylpropyl)-1,2,6-thiadiazinane 1,1-dioxide is CC(C)CN1CCCNS1(=O)=O.
What is the InChIKey of 2-(2-methylpropyl)-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is IMSBBPZUUGCMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-7(2)6-9-5-3-4-8-12(9,10)11/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-1,2,6-thiadiazinane 1,1-dioxide?
2-(2-methylpropyl)-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 192.28 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 58799600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).