4-(2-methylpropylsulfonyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine

C19H31NO4S2 — CID 90590315

IUPAC4-(2-methylpropylsulfonyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)c1C
InChIInChI=1S/C19H31NO4S2/c1-13(2)12-25(21,22)18-7-9-20(10-8-18)26(23,24)19-16(5)14(3)11-15(4)17(19)6/h11,13,18H,7-10,12H2,1-6H3
InChIKeyIVLVODPVIXKFHN-UHFFFAOYSA-N
MW401.59 g/mol
LogP3.14
Rot. Bonds5

About 4-(2-methylpropylsulfonyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine

4-(2-methylpropylsulfonyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine (PubChem CID 90590315) has the molecular formula C19H31NO4S2 and a molecular weight of 401.59 g/mol. Its IUPAC name is 4-(2-methylpropylsulfonyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(2-methylpropylsulfonyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine
PubChem CID90590315
Molecular FormulaC19H31NO4S2
Molecular Weight401.59 g/mol
Exact Mass401.17
IUPAC Name4-(2-methylpropylsulfonyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)c1C
InChIInChI=1S/C19H31NO4S2/c1-13(2)12-25(21,22)18-7-9-20(10-8-18)26(23,24)19-16(5)14(3)11-15(4)17(19)6/h11,13,18H,7-10,12H2,1-6H3
InChIKeyIVLVODPVIXKFHN-UHFFFAOYSA-N
XLogP3.14
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.59
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590279
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590318
1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974866
4-[4-(2-methylpropylsulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 90590371
1-(2,4-difluorophenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590341
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 6462654
1-(5-ethylthiophen-2-yl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590289
[4-(2-methylpropylsulfonyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 90589998
1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium
CID 7406129
N,N-diethyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxamide
CID 34217987
N-[2-(ethylamino)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119505200
N-(2-methylpropyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747802

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylsulfonyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine?
The IUPAC name of 4-(2-methylpropylsulfonyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine (CID 90590315) is 4-(2-methylpropylsulfonyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(2-methylpropylsulfonyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(2-methylpropylsulfonyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine is Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)c1C.
What is the InChIKey of 4-(2-methylpropylsulfonyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine?
The InChIKey is IVLVODPVIXKFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO4S2/c1-13(2)12-25(21,22)18-7-9-20(10-8-18)26(23,24)19-16(5)14(3)11-15(4)17(19)6/h11,13,18H,7-10,12H2,1-6H3.
What are the key properties of 4-(2-methylpropylsulfonyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine?
4-(2-methylpropylsulfonyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine has a molecular weight of 401.59 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylsulfonyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine is sourced from PubChem (CID 90590315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).