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

C11H21NO4S2 — CID 79451508

IUPAC3-[3-(3-methylsulfonylpropyl)azetidin-3-yl]thiolane 1,1-dioxide
SMILESCS(=O)(=O)CCCC1(C2CCS(=O)(=O)C2)CNC1
InChIInChI=1S/C11H21NO4S2/c1-17(13,14)5-2-4-11(8-12-9-11)10-3-6-18(15,16)7-10/h10,12H,2-9H2,1H3
InChIKeyKRYIZLBJZRIDBH-UHFFFAOYSA-N
MW295.43 g/mol
LogP-0.16
Rot. Bonds5

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

3-[3-(3-methylsulfonylpropyl)azetidin-3-yl]thiolane 1,1-dioxide (PubChem CID 79451508) has the molecular formula C11H21NO4S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-[3-(3-methylsulfonylpropyl)azetidin-3-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[3-(3-methylsulfonylpropyl)azetidin-3-yl]thiolane 1,1-dioxide
PubChem CID79451508
Molecular FormulaC11H21NO4S2
Molecular Weight295.43 g/mol
Exact Mass295.09
IUPAC Name3-[3-(3-methylsulfonylpropyl)azetidin-3-yl]thiolane 1,1-dioxide
SMILESCS(=O)(=O)CCCC1(C2CCS(=O)(=O)C2)CNC1
InChIInChI=1S/C11H21NO4S2/c1-17(13,14)5-2-4-11(8-12-9-11)10-3-6-18(15,16)7-10/h10,12H,2-9H2,1H3
InChIKeyKRYIZLBJZRIDBH-UHFFFAOYSA-N
XLogP-0.16
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-butylazetidin-3-yl)thiolane 1,1-dioxide
CID 79451711
3-[3-(3-methoxypropyl)azetidin-3-yl]thiolane 1,1-dioxide
CID 79451088
3-[3-(2-propan-2-ylsulfonylethyl)azetidin-3-yl]thiolane 1,1-dioxide
CID 106734964
3-[3-(ethoxymethyl)azetidin-3-yl]thiolane 1,1-dioxide
CID 103985370
3-[3-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]thiolane 1,1-dioxide
CID 103019129
3-[3-[(4-chlorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide
CID 79451612
3-[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidin-3-yl]thiolane 1,1-dioxide
CID 79452117
3-[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]azetidin-3-yl]thiolane 1,1-dioxide
CID 79452321
3-fluoro-3-(3-methylsulfonylpropyl)pyrrolidine
CID 112564275
3-[3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]azetidin-3-yl]thiolane 1,1-dioxide
CID 79452118
2-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-5-methylsulfonylpentan-1-amine
CID 63195777
3-[3-[(3-chloro-4-pyridinyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide
CID 79452005

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methylsulfonylpropyl)azetidin-3-yl]thiolane 1,1-dioxide?
The IUPAC name of 3-[3-(3-methylsulfonylpropyl)azetidin-3-yl]thiolane 1,1-dioxide (CID 79451508) is 3-[3-(3-methylsulfonylpropyl)azetidin-3-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[3-(3-methylsulfonylpropyl)azetidin-3-yl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[3-(3-methylsulfonylpropyl)azetidin-3-yl]thiolane 1,1-dioxide is CS(=O)(=O)CCCC1(C2CCS(=O)(=O)C2)CNC1.
What is the InChIKey of 3-[3-(3-methylsulfonylpropyl)azetidin-3-yl]thiolane 1,1-dioxide?
The InChIKey is KRYIZLBJZRIDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S2/c1-17(13,14)5-2-4-11(8-12-9-11)10-3-6-18(15,16)7-10/h10,12H,2-9H2,1H3.
What are the key properties of 3-[3-(3-methylsulfonylpropyl)azetidin-3-yl]thiolane 1,1-dioxide?
3-[3-(3-methylsulfonylpropyl)azetidin-3-yl]thiolane 1,1-dioxide has a molecular weight of 295.43 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methylsulfonylpropyl)azetidin-3-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 79451508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).