3-[4-(azetidin-3-yl)piperazin-1-yl]thiolane 1,1-dioxide

C11H21N3O2S — CID 66203857

IUPAC3-[4-(azetidin-3-yl)piperazin-1-yl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CCN(C3CNC3)CC2)C1
InChIInChI=1S/C11H21N3O2S/c15-17(16)6-1-10(9-17)13-2-4-14(5-3-13)11-7-12-8-11/h10-12H,1-9H2
InChIKeyTWFUDIFZLYMLQB-UHFFFAOYSA-N
MW259.37 g/mol
LogP-1.24
Rot. Bonds2

About 3-[4-(azetidin-3-yl)piperazin-1-yl]thiolane 1,1-dioxide

3-[4-(azetidin-3-yl)piperazin-1-yl]thiolane 1,1-dioxide (PubChem CID 66203857) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 3-[4-(azetidin-3-yl)piperazin-1-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[4-(azetidin-3-yl)piperazin-1-yl]thiolane 1,1-dioxide
PubChem CID66203857
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name3-[4-(azetidin-3-yl)piperazin-1-yl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CCN(C3CNC3)CC2)C1
InChIInChI=1S/C11H21N3O2S/c15-17(16)6-1-10(9-17)13-2-4-14(5-3-13)11-7-12-8-11/h10-12H,1-9H2
InChIKeyTWFUDIFZLYMLQB-UHFFFAOYSA-N
XLogP-1.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-morpholin-4-ylthiolane 1,1-dioxide
CID 7072045
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]thiolane 1,1-dioxide
CID 7304650
3-(3,7-dimethyl-1,5-diazocan-1-yl)thiane 1,1-dioxide
CID 63924763
3-(6-methyl-1,4-diazepan-1-yl)thiane 1,1-dioxide
CID 63922407
3-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]propanenitrile
CID 82120809
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)thiolane 1,1-dioxide
CID 78981307
1-(1,1-dioxothiolan-3-yl)piperidine-4,4-dicarbonitrile
CID 117007905
1-[1-(1,1-dioxothiolan-3-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552789
1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidin-4-amine
CID 63162610
1-(azetidin-3-yl)-4-methylpiperazine
CID 20659800
3-(2,7-diazaspiro[4.4]nonan-2-yl)thiolane 1,1-dioxide
CID 117028699
2-[4-(1,1-dioxothiolan-3-yl)-1,4-diazepan-1-yl]ethanol
CID 63312824

Frequently Asked Questions

What is the IUPAC name of 3-[4-(azetidin-3-yl)piperazin-1-yl]thiolane 1,1-dioxide?
The IUPAC name of 3-[4-(azetidin-3-yl)piperazin-1-yl]thiolane 1,1-dioxide (CID 66203857) is 3-[4-(azetidin-3-yl)piperazin-1-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[4-(azetidin-3-yl)piperazin-1-yl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[4-(azetidin-3-yl)piperazin-1-yl]thiolane 1,1-dioxide is O=S1(=O)CCC(N2CCN(C3CNC3)CC2)C1.
What is the InChIKey of 3-[4-(azetidin-3-yl)piperazin-1-yl]thiolane 1,1-dioxide?
The InChIKey is TWFUDIFZLYMLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c15-17(16)6-1-10(9-17)13-2-4-14(5-3-13)11-7-12-8-11/h10-12H,1-9H2.
What are the key properties of 3-[4-(azetidin-3-yl)piperazin-1-yl]thiolane 1,1-dioxide?
3-[4-(azetidin-3-yl)piperazin-1-yl]thiolane 1,1-dioxide has a molecular weight of 259.37 g/mol, XLogP of -1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(azetidin-3-yl)piperazin-1-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 66203857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).