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

C14H18ClNO2S — CID 79451612

IUPAC3-[3-[(4-chlorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(C2(Cc3ccc(Cl)cc3)CNC2)C1
InChIInChI=1S/C14H18ClNO2S/c15-13-3-1-11(2-4-13)7-14(9-16-10-14)12-5-6-19(17,18)8-12/h1-4,12,16H,5-10H2
InChIKeyNCWGZIASWKPQAH-UHFFFAOYSA-N
MW299.82 g/mol
LogP1.91
Rot. Bonds3

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

3-[3-[(4-chlorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide (PubChem CID 79451612) has the molecular formula C14H18ClNO2S and a molecular weight of 299.82 g/mol. Its IUPAC name is 3-[3-[(4-chlorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[3-[(4-chlorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide
PubChem CID79451612
Molecular FormulaC14H18ClNO2S
Molecular Weight299.82 g/mol
Exact Mass299.07
IUPAC Name3-[3-[(4-chlorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(C2(Cc3ccc(Cl)cc3)CNC2)C1
InChIInChI=1S/C14H18ClNO2S/c15-13-3-1-11(2-4-13)7-14(9-16-10-14)12-5-6-19(17,18)8-12/h1-4,12,16H,5-10H2
InChIKeyNCWGZIASWKPQAH-UHFFFAOYSA-N
XLogP1.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-chlorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide?
The IUPAC name of 3-[3-[(4-chlorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide (CID 79451612) is 3-[3-[(4-chlorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[3-[(4-chlorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[3-[(4-chlorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide is O=S1(=O)CCC(C2(Cc3ccc(Cl)cc3)CNC2)C1.
What is the InChIKey of 3-[3-[(4-chlorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide?
The InChIKey is NCWGZIASWKPQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2S/c15-13-3-1-11(2-4-13)7-14(9-16-10-14)12-5-6-19(17,18)8-12/h1-4,12,16H,5-10H2.
What are the key properties of 3-[3-[(4-chlorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide?
3-[3-[(4-chlorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide has a molecular weight of 299.82 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-chlorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 79451612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).