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

C9H20N2O2S — CID 117015143

IUPAC2-(2-methylpropyl)-1,2,6-thiadiazocane 1,1-dioxide
SMILESCC(C)CN1CCCNCCS1(=O)=O
InChIInChI=1S/C9H20N2O2S/c1-9(2)8-11-6-3-4-10-5-7-14(11,12)13/h9-10H,3-8H2,1-2H3
InChIKeyLXXISANHHJXMGA-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.27
Rot. Bonds2

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

2-(2-methylpropyl)-1,2,6-thiadiazocane 1,1-dioxide (PubChem CID 117015143) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1,2,6-thiadiazocane 1,1-dioxide.

Molecular Properties

Compound Name2-(2-methylpropyl)-1,2,6-thiadiazocane 1,1-dioxide
PubChem CID117015143
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name2-(2-methylpropyl)-1,2,6-thiadiazocane 1,1-dioxide
SMILESCC(C)CN1CCCNCCS1(=O)=O
InChIInChI=1S/C9H20N2O2S/c1-9(2)8-11-6-3-4-10-5-7-14(11,12)13/h9-10H,3-8H2,1-2H3
InChIKeyLXXISANHHJXMGA-UHFFFAOYSA-N
XLogP0.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropyl)-1,2,5-thiadiazocane 1,1-dioxide
CID 117015213
2-(1,1-dioxo-1,2,6-thiadiazocan-2-yl)-N,N-dimethylethanamine
CID 117015150
2-(2-methylpropyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 58799600
2-(3-methoxypropyl)-1,2,6-thiadiazocane 1,1-dioxide
CID 117015148
4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazepane 1,1-dioxide
CID 117016679
4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazocane 1,1-dioxide
CID 117016561
2-prop-2-enyl-1,2,5-thiadiazepane 1,1-dioxide
CID 117014276
2-propyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117015208
2-(4-methylpentyl)-1,2-thiazolidine 1,1-dioxide
CID 118931491
1-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-2-ol
CID 115584238
2-pentyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117015233
2-(2-ethyl-3,3-dimethylbutyl)-1,2-thiazolidine 1,1-dioxide
CID 58573599

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1,2,6-thiadiazocane 1,1-dioxide?
The IUPAC name of 2-(2-methylpropyl)-1,2,6-thiadiazocane 1,1-dioxide (CID 117015143) is 2-(2-methylpropyl)-1,2,6-thiadiazocane 1,1-dioxide.
What is the SMILES notation for 2-(2-methylpropyl)-1,2,6-thiadiazocane 1,1-dioxide?
The canonical SMILES for 2-(2-methylpropyl)-1,2,6-thiadiazocane 1,1-dioxide is CC(C)CN1CCCNCCS1(=O)=O.
What is the InChIKey of 2-(2-methylpropyl)-1,2,6-thiadiazocane 1,1-dioxide?
The InChIKey is LXXISANHHJXMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-9(2)8-11-6-3-4-10-5-7-14(11,12)13/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-1,2,6-thiadiazocane 1,1-dioxide?
2-(2-methylpropyl)-1,2,6-thiadiazocane 1,1-dioxide has a molecular weight of 220.34 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1,2,6-thiadiazocane 1,1-dioxide is sourced from PubChem (CID 117015143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).