2-cyclopentyl-4-methyl-1,2,5-thiadiazepane 1,1-dioxide

C10H20N2O2S — CID 117016628

IUPAC2-cyclopentyl-4-methyl-1,2,5-thiadiazepane 1,1-dioxide
SMILESCC1CN(C2CCCC2)S(=O)(=O)CCN1
InChIInChI=1S/C10H20N2O2S/c1-9-8-12(10-4-2-3-5-10)15(13,14)7-6-11-9/h9-11H,2-8H2,1H3
InChIKeySUSLNELJCWLVFX-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.55
Rot. Bonds1

About 2-cyclopentyl-4-methyl-1,2,5-thiadiazepane 1,1-dioxide

2-cyclopentyl-4-methyl-1,2,5-thiadiazepane 1,1-dioxide (PubChem CID 117016628) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-cyclopentyl-4-methyl-1,2,5-thiadiazepane 1,1-dioxide.

Molecular Properties

Compound Name2-cyclopentyl-4-methyl-1,2,5-thiadiazepane 1,1-dioxide
PubChem CID117016628
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-cyclopentyl-4-methyl-1,2,5-thiadiazepane 1,1-dioxide
SMILESCC1CN(C2CCCC2)S(=O)(=O)CCN1
InChIInChI=1S/C10H20N2O2S/c1-9-8-12(10-4-2-3-5-10)15(13,14)7-6-11-9/h9-11H,2-8H2,1H3
InChIKeySUSLNELJCWLVFX-UHFFFAOYSA-N
XLogP0.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentyl-4-methyl-1,2,5-thiadiazepane 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

(4S)-2,4-dimethyl-1,2,5-thiadiazepane 1,1-dioxide
CID 118994833
4-(3-methyl-1,4-diazepan-1-yl)thiane 1,1-dioxide
CID 64943551
2-(2-methylpiperidin-4-yl)thiazinane 1,1-dioxide
CID 106996411
(3R)-1-cycloheptyl-3-methylpiperazine
CID 95437868
2-(azepan-4-yl)-1,2-thiazolidine 1,1-dioxide
CID 103655491
2-cyclopropyl-4,4-dimethyl-1,2,5-thiadiazepane 1,1-dioxide
CID 117016676
2-cyclopentyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51360708
2-cyclopropyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117015210
2-(1-methylpyrrolidin-3-yl)-1,2,5-thiadiazepane 1,1-dioxide
CID 115100971
8-methyl-2λ6-thia-1,6-diazabicyclo[3.3.1]nonane 2,2-dioxide
CID 118373745
(1,1-dioxothian-2-yl)-(3-methylpiperazin-1-yl)methanone
CID 104517859
2-butan-2-yl-4-methyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117016531

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-methyl-1,2,5-thiadiazepane 1,1-dioxide?
The IUPAC name of 2-cyclopentyl-4-methyl-1,2,5-thiadiazepane 1,1-dioxide (CID 117016628) is 2-cyclopentyl-4-methyl-1,2,5-thiadiazepane 1,1-dioxide.
What is the SMILES notation for 2-cyclopentyl-4-methyl-1,2,5-thiadiazepane 1,1-dioxide?
The canonical SMILES for 2-cyclopentyl-4-methyl-1,2,5-thiadiazepane 1,1-dioxide is CC1CN(C2CCCC2)S(=O)(=O)CCN1.
What is the InChIKey of 2-cyclopentyl-4-methyl-1,2,5-thiadiazepane 1,1-dioxide?
The InChIKey is SUSLNELJCWLVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-9-8-12(10-4-2-3-5-10)15(13,14)7-6-11-9/h9-11H,2-8H2,1H3.
What are the key properties of 2-cyclopentyl-4-methyl-1,2,5-thiadiazepane 1,1-dioxide?
2-cyclopentyl-4-methyl-1,2,5-thiadiazepane 1,1-dioxide has a molecular weight of 232.35 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-methyl-1,2,5-thiadiazepane 1,1-dioxide is sourced from PubChem (CID 117016628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).