2-benzyl-1,2,6-thiadiazinane 1,1-dioxide

C10H14N2O2S — CID 42544149

IUPAC2-benzyl-1,2,6-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)NCCCN1Cc1ccccc1
InChIInChI=1S/C10H14N2O2S/c13-15(14)11-7-4-8-12(15)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2
InChIKeyJUFCSQWFQHSDDX-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.73
Rot. Bonds2

About 2-benzyl-1,2,6-thiadiazinane 1,1-dioxide

2-benzyl-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 42544149) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-benzyl-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-benzyl-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID42544149
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-benzyl-1,2,6-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)NCCCN1Cc1ccccc1
InChIInChI=1S/C10H14N2O2S/c13-15(14)11-7-4-8-12(15)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2
InChIKeyJUFCSQWFQHSDDX-UHFFFAOYSA-N
XLogP0.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzyl-1,4,5-oxathiazocane 4,4-dioxide
CID 24816470
2-(2-methylpropyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 58799600
4,13-dibenzyl-1,1-dioxo-1λ6-thia-4,7,10,13-tetrazacyclopentadecane-8,9-dione
CID 11113478
(E)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)but-2-enoic acid
CID 131233401
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
4-benzyl-1λ6-thia-4,9-diazaspiro[5.5]undecane 1,1-dioxide
CID 118960501
1-benzylazepane
CID 10954328
azane;1-benzylpiperazine
CID 174866973
(3S,4R)-3-amino-4-[(1,1-dioxo-1,2,6-thiadiazinan-2-yl)methyl]azetidin-2-one
CID 167344211
2-[(2,4,6-trifluorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide
CID 141076637
4-benzyl-11-methyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
CID 12011735
2-benzyl-1,1-dioxo-3,5-dihydro-1λ6,2,5-benzothiadiazepin-4-one
CID 11722451

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 2-benzyl-1,2,6-thiadiazinane 1,1-dioxide (CID 42544149) is 2-benzyl-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 2-benzyl-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 2-benzyl-1,2,6-thiadiazinane 1,1-dioxide is O=S1(=O)NCCCN1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is JUFCSQWFQHSDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c13-15(14)11-7-4-8-12(15)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2.
What are the key properties of 2-benzyl-1,2,6-thiadiazinane 1,1-dioxide?
2-benzyl-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 226.30 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 42544149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).