1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine

C17H27NO2S — CID 2950793

IUPAC1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C17H27NO2S/c1-13-10-14(2)12-18(11-13)21(19,20)16-8-6-15(7-9-16)17(3,4)5/h6-9,13-14H,10-12H2,1-5H3
InChIKeyUXRXBUNSLNSLSY-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.65
Rot. Bonds2

About 1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine

1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine (PubChem CID 2950793) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine
PubChem CID2950793
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Name1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C17H27NO2S/c1-13-10-14(2)12-18(11-13)21(19,20)16-8-6-15(7-9-16)17(3,4)5/h6-9,13-14H,10-12H2,1-5H3
InChIKeyUXRXBUNSLNSLSY-UHFFFAOYSA-N
XLogP3.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 50987777
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 94176618
3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 17441399
(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 755984
(3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 902590
1-(4-azidophenyl)sulfonyl-3,5-dimethylpiperidine
CID 151718786
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 2049561
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl chloride
CID 7109677
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 4510553
(1S,5R)-3-(4-tert-butylphenyl)sulfonyl-8-cyclopentyl-3,8-diazabicyclo[3.2.1]octane
CID 46880554
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N',N'-dimethylbenzohydrazide
CID 9163818

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine (CID 2950793) is 1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine is CC1CC(C)CN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine?
The InChIKey is UXRXBUNSLNSLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-13-10-14(2)12-18(11-13)21(19,20)16-8-6-15(7-9-16)17(3,4)5/h6-9,13-14H,10-12H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine?
1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine has a molecular weight of 309.48 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine is sourced from PubChem (CID 2950793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).