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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Related Compounds

1,4-Bis[(2-methoxy-5-methylphenyl)sulfonyl]-2-methylpiperazine
CID 2897110
1-(2-Methoxy-5-methyl-benzenesulfonyl)-4-methyl-piperidine
CID 646254
(1S,5R)-3-[2-(trifluoromethoxy)phenyl]sulfonyl-8-[3-(trifluoromethyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octane
CID 44526984
N-cyclohexyl-N-ethyl-2-methoxy-5-methylbenzenesulfonamide
CID 2931464
1-(2-Methoxy-5-methylphenyl)sulfonylpiperidine
CID 775520
1-((4-Methoxy-3-methylphenyl)sulfonyl)-4-(methylsulfonyl)piperidine
CID 71805719
(3S,4R)-N-cyclopentyl-4-[(2-methoxy-5-methylphenyl)sulfonyl]tetrahydrothiophen-3-amine 1,1-dioxide
CID 17595111
ethyl 1-((3S,4R)-4-((2-methoxy-5-methylphenyl)sulfonyl)-1,1-dioxidotetrahydrothiophen-3-yl)piperidine-4-carboxylate
CID 17601957
1-(2-Methoxy-5-propan-2-ylphenyl)sulfonyl-2-methylpiperidine
CID 2949661
1-(5-Ethyl-2-methoxyphenyl)sulfonylpiperidine
CID 6458513
N-((1-isopropylpiperidin-4-yl)methyl)-2-methoxy-5-methylbenzenesulfonamide
CID 16887540
N-((1-cyclopentylpiperidin-4-yl)methyl)-2-methoxy-5-methylbenzenesulfonamide
CID 16887712

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).