2-(azepan-4-yl)-1,2-thiazolidine 1,1-dioxide

C9H18N2O2S — CID 103655491

IUPAC2-(azepan-4-yl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1C1CCCNCC1
InChIInChI=1S/C9H18N2O2S/c12-14(13)8-2-7-11(14)9-3-1-5-10-6-4-9/h9-10H,1-8H2
InChIKeyCMZFPSHIDFFZJH-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.16
Rot. Bonds1

About 2-(azepan-4-yl)-1,2-thiazolidine 1,1-dioxide

2-(azepan-4-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 103655491) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-(azepan-4-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(azepan-4-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID103655491
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-(azepan-4-yl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1C1CCCNCC1
InChIInChI=1S/C9H18N2O2S/c12-14(13)8-2-7-11(14)9-3-1-5-10-6-4-9/h9-10H,1-8H2
InChIKeyCMZFPSHIDFFZJH-UHFFFAOYSA-N
XLogP0.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117015210
2-pyrrolidin-3-ylthiazinane 1,1-dioxide
CID 83819748
2-(2-methylpiperidin-4-yl)thiazinane 1,1-dioxide
CID 106996411
4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide
CID 146082093
3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclobutan-1-amine
CID 61349589
2-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]-1,2,6-thiadiazinane 1,1-dioxide
CID 129409583
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]carbamic acid
CID 139369242
3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid
CID 63042627
2-pyrrolidin-2-yl-1,2,5-thiadiazepane 1,1-dioxide
CID 115101005
2-[1-(2-cyclohexylethylsulfonyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide
CID 128777325
2-(1-methylpyrrolidin-3-yl)-1,2,5-thiadiazepane 1,1-dioxide
CID 115100971
4-piperidin-4-yl-1,4-thiazinane 1,1-dioxide;dihydrochloride
CID 71758395

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-4-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(azepan-4-yl)-1,2-thiazolidine 1,1-dioxide (CID 103655491) is 2-(azepan-4-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(azepan-4-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(azepan-4-yl)-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1C1CCCNCC1.
What is the InChIKey of 2-(azepan-4-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is CMZFPSHIDFFZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c12-14(13)8-2-7-11(14)9-3-1-5-10-6-4-9/h9-10H,1-8H2.
What are the key properties of 2-(azepan-4-yl)-1,2-thiazolidine 1,1-dioxide?
2-(azepan-4-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 218.32 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-4-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 103655491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).