1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine

C17H27NO4S2 — CID 90590279

IUPAC1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)c(C)c1
InChIInChI=1S/C17H27NO4S2/c1-13(2)12-23(19,20)16-7-9-18(10-8-16)24(21,22)17-6-5-14(3)11-15(17)4/h5-6,11,13,16H,7-10,12H2,1-4H3
InChIKeyDHUOZPKZRIKCIQ-UHFFFAOYSA-N
MW373.54 g/mol
LogP2.53
Rot. Bonds5

About 1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine

1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine (PubChem CID 90590279) has the molecular formula C17H27NO4S2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
PubChem CID90590279
Molecular FormulaC17H27NO4S2
Molecular Weight373.54 g/mol
Exact Mass373.14
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)c(C)c1
InChIInChI=1S/C17H27NO4S2/c1-13(2)12-23(19,20)16-7-9-18(10-8-16)24(21,22)17-6-5-14(3)11-15(17)4/h5-6,11,13,16H,7-10,12H2,1-4H3
InChIKeyDHUOZPKZRIKCIQ-UHFFFAOYSA-N
XLogP2.53
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590318
1-(2,4-difluorophenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590341
4-(2-methylpropylsulfonyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine
CID 90590315
1-(1-cyclopropylethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 110708837
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
N-[[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990508
4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 27534466
(3S,4S)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3,4-diol
CID 131932032
[4-(2-methylpropylsulfonyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 90589998
2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]isoindole-1,3-dione
CID 113082559
1-(2,4-dimethylphenyl)sulfonyl-3-ethylpiperidin-4-amine
CID 81458322
1-(2,4-dimethylphenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120827983

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine (CID 90590279) is 1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine is Cc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine?
The InChIKey is DHUOZPKZRIKCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4S2/c1-13(2)12-23(19,20)16-7-9-18(10-8-16)24(21,22)17-6-5-14(3)11-15(17)4/h5-6,11,13,16H,7-10,12H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine?
1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine has a molecular weight of 373.54 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine is sourced from PubChem (CID 90590279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).