3-(2-methoxy-5-methylphenyl)sulfonyl-4-piperidin-1-ylthiolane 1,1-dioxide

C17H25NO5S2 — CID 22695498

IUPAC3-(2-methoxy-5-methylphenyl)sulfonyl-4-piperidin-1-ylthiolane 1,1-dioxide
SMILESCOc1ccc(C)cc1S(=O)(=O)C1CS(=O)(=O)CC1N1CCCCC1
InChIInChI=1S/C17H25NO5S2/c1-13-6-7-15(23-2)16(10-13)25(21,22)17-12-24(19,20)11-14(17)18-8-4-3-5-9-18/h6-7,10,14,17H,3-5,8-9,11-12H2,1-2H3
InChIKeyFZBHKVSQPFWGAK-UHFFFAOYSA-N
MW387.52 g/mol
LogP1.43
Rot. Bonds4

About 3-(2-methoxy-5-methylphenyl)sulfonyl-4-piperidin-1-ylthiolane 1,1-dioxide

3-(2-methoxy-5-methylphenyl)sulfonyl-4-piperidin-1-ylthiolane 1,1-dioxide (PubChem CID 22695498) has the molecular formula C17H25NO5S2 and a molecular weight of 387.52 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylphenyl)sulfonyl-4-piperidin-1-ylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(2-methoxy-5-methylphenyl)sulfonyl-4-piperidin-1-ylthiolane 1,1-dioxide
PubChem CID22695498
Molecular FormulaC17H25NO5S2
Molecular Weight387.52 g/mol
Exact Mass387.12
IUPAC Name3-(2-methoxy-5-methylphenyl)sulfonyl-4-piperidin-1-ylthiolane 1,1-dioxide
SMILESCOc1ccc(C)cc1S(=O)(=O)C1CS(=O)(=O)CC1N1CCCCC1
InChIInChI=1S/C17H25NO5S2/c1-13-6-7-15(23-2)16(10-13)25(21,22)17-12-24(19,20)11-14(17)18-8-4-3-5-9-18/h6-7,10,14,17H,3-5,8-9,11-12H2,1-2H3
InChIKeyFZBHKVSQPFWGAK-UHFFFAOYSA-N
XLogP1.43
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methylphenyl)sulfonyl-4-piperidin-1-ylthiolane 1,1-dioxide?
The IUPAC name of 3-(2-methoxy-5-methylphenyl)sulfonyl-4-piperidin-1-ylthiolane 1,1-dioxide (CID 22695498) is 3-(2-methoxy-5-methylphenyl)sulfonyl-4-piperidin-1-ylthiolane 1,1-dioxide.
What is the SMILES notation for 3-(2-methoxy-5-methylphenyl)sulfonyl-4-piperidin-1-ylthiolane 1,1-dioxide?
The canonical SMILES for 3-(2-methoxy-5-methylphenyl)sulfonyl-4-piperidin-1-ylthiolane 1,1-dioxide is COc1ccc(C)cc1S(=O)(=O)C1CS(=O)(=O)CC1N1CCCCC1.
What is the InChIKey of 3-(2-methoxy-5-methylphenyl)sulfonyl-4-piperidin-1-ylthiolane 1,1-dioxide?
The InChIKey is FZBHKVSQPFWGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5S2/c1-13-6-7-15(23-2)16(10-13)25(21,22)17-12-24(19,20)11-14(17)18-8-4-3-5-9-18/h6-7,10,14,17H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of 3-(2-methoxy-5-methylphenyl)sulfonyl-4-piperidin-1-ylthiolane 1,1-dioxide?
3-(2-methoxy-5-methylphenyl)sulfonyl-4-piperidin-1-ylthiolane 1,1-dioxide has a molecular weight of 387.52 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methylphenyl)sulfonyl-4-piperidin-1-ylthiolane 1,1-dioxide is sourced from PubChem (CID 22695498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).