2-propyl-1,2,5-thiadiazocane 1,1-dioxide

C8H18N2O2S — CID 117015208

IUPAC2-propyl-1,2,5-thiadiazocane 1,1-dioxide
SMILESCCCN1CCNCCCS1(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-2-6-10-7-5-9-4-3-8-13(10,11)12/h9H,2-8H2,1H3
InChIKeyWYKDTTXRSXQZED-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.02
Rot. Bonds2

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

2-propyl-1,2,5-thiadiazocane 1,1-dioxide (PubChem CID 117015208) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-propyl-1,2,5-thiadiazocane 1,1-dioxide.

Molecular Properties

Compound Name2-propyl-1,2,5-thiadiazocane 1,1-dioxide
PubChem CID117015208
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-propyl-1,2,5-thiadiazocane 1,1-dioxide
SMILESCCCN1CCNCCCS1(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-2-6-10-7-5-9-4-3-8-13(10,11)12/h9H,2-8H2,1H3
InChIKeyWYKDTTXRSXQZED-UHFFFAOYSA-N
XLogP0.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-propyl-1,2,5-thiadiazocane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pentyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117015233
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-(oxolan-2-ylmethyl)-1,2,5-thiadiazocane 1,1-dioxide
CID 117015219
2-(3-methoxypropyl)-1,2,6-thiadiazocane 1,1-dioxide
CID 117015148
2-(2-methylpropyl)-1,2,6-thiadiazocane 1,1-dioxide
CID 117015143
2-cyclopropyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117015210
3,3-dimethyl-2-pentyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117016617
2-prop-2-enyl-1,2,5-thiadiazepane 1,1-dioxide
CID 117014276
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol
CID 79361203
methane;1-methylpiperazine;piperidine;bis(propan-1-ol)
CID 163895753
ethanol;1-methyl-1,4-diazepane
CID 174829780

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1,2,5-thiadiazocane 1,1-dioxide?
The IUPAC name of 2-propyl-1,2,5-thiadiazocane 1,1-dioxide (CID 117015208) is 2-propyl-1,2,5-thiadiazocane 1,1-dioxide.
What is the SMILES notation for 2-propyl-1,2,5-thiadiazocane 1,1-dioxide?
The canonical SMILES for 2-propyl-1,2,5-thiadiazocane 1,1-dioxide is CCCN1CCNCCCS1(=O)=O.
What is the InChIKey of 2-propyl-1,2,5-thiadiazocane 1,1-dioxide?
The InChIKey is WYKDTTXRSXQZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-2-6-10-7-5-9-4-3-8-13(10,11)12/h9H,2-8H2,1H3.
What are the key properties of 2-propyl-1,2,5-thiadiazocane 1,1-dioxide?
2-propyl-1,2,5-thiadiazocane 1,1-dioxide has a molecular weight of 206.31 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1,2,5-thiadiazocane 1,1-dioxide is sourced from PubChem (CID 117015208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).