2-cyclopropyl-1,2,5-thiadiazocane 1,1-dioxide

C8H16N2O2S — CID 117015210

IUPAC2-cyclopropyl-1,2,5-thiadiazocane 1,1-dioxide
SMILESO=S1(=O)CCCNCCN1C1CC1
InChIInChI=1S/C8H16N2O2S/c11-13(12)7-1-4-9-5-6-10(13)8-2-3-8/h8-9H,1-7H2
InChIKeyDJBCBPHZJHRWGZ-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.23
Rot. Bonds1

About 2-cyclopropyl-1,2,5-thiadiazocane 1,1-dioxide

2-cyclopropyl-1,2,5-thiadiazocane 1,1-dioxide (PubChem CID 117015210) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-cyclopropyl-1,2,5-thiadiazocane 1,1-dioxide.

Molecular Properties

Compound Name2-cyclopropyl-1,2,5-thiadiazocane 1,1-dioxide
PubChem CID117015210
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name2-cyclopropyl-1,2,5-thiadiazocane 1,1-dioxide
SMILESO=S1(=O)CCCNCCN1C1CC1
InChIInChI=1S/C8H16N2O2S/c11-13(12)7-1-4-9-5-6-10(13)8-2-3-8/h8-9H,1-7H2
InChIKeyDJBCBPHZJHRWGZ-UHFFFAOYSA-N
XLogP-0.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-4-yl)-1,2-thiazolidine 1,1-dioxide
CID 103655491
2-(1-methylpyrrolidin-3-yl)-1,2,5-thiadiazepane 1,1-dioxide
CID 115100971
2-pyrrolidin-3-ylthiazinane 1,1-dioxide
CID 83819748
2-pyrrolidin-2-yl-1,2,5-thiadiazepane 1,1-dioxide
CID 115101005
2-(1-ethylpyrrolidin-3-yl)-1,2,5-thiadiazepane 1,1-dioxide
CID 115100972
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]carbamic acid
CID 139369242
2-(2-methylpiperidin-4-yl)thiazinane 1,1-dioxide
CID 106996411
2-propyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117015208
2-(oxolan-2-ylmethyl)-1,2,5-thiadiazocane 1,1-dioxide
CID 117015219
2-(2-methylpropyl)-1,2,5-thiadiazocane 1,1-dioxide
CID 117015213
4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide
CID 146082093
4-(1,4-diazepan-1-ylmethyl)thiane 1,1-dioxide
CID 115100681

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1,2,5-thiadiazocane 1,1-dioxide?
The IUPAC name of 2-cyclopropyl-1,2,5-thiadiazocane 1,1-dioxide (CID 117015210) is 2-cyclopropyl-1,2,5-thiadiazocane 1,1-dioxide.
What is the SMILES notation for 2-cyclopropyl-1,2,5-thiadiazocane 1,1-dioxide?
The canonical SMILES for 2-cyclopropyl-1,2,5-thiadiazocane 1,1-dioxide is O=S1(=O)CCCNCCN1C1CC1.
What is the InChIKey of 2-cyclopropyl-1,2,5-thiadiazocane 1,1-dioxide?
The InChIKey is DJBCBPHZJHRWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c11-13(12)7-1-4-9-5-6-10(13)8-2-3-8/h8-9H,1-7H2.
What are the key properties of 2-cyclopropyl-1,2,5-thiadiazocane 1,1-dioxide?
2-cyclopropyl-1,2,5-thiadiazocane 1,1-dioxide has a molecular weight of 204.29 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1,2,5-thiadiazocane 1,1-dioxide is sourced from PubChem (CID 117015210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).