4-tert-butyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine

C16H23NO2S — CID 153307532

IUPAC4-tert-butyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine
SMILESCc1ccc(S(=O)(=O)N2CC=C(C(C)(C)C)CC2)cc1
InChIInChI=1S/C16H23NO2S/c1-13-5-7-15(8-6-13)20(18,19)17-11-9-14(10-12-17)16(2,3)4/h5-9H,10-12H2,1-4H3
InChIKeyTZQNPZJEBRCFJP-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.36
Rot. Bonds2

About 4-tert-butyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine

4-tert-butyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine (PubChem CID 153307532) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-tert-butyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-tert-butyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine
PubChem CID153307532
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name4-tert-butyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine
SMILESCc1ccc(S(=O)(=O)N2CC=C(C(C)(C)C)CC2)cc1
InChIInChI=1S/C16H23NO2S/c1-13-5-7-15(8-6-13)20(18,19)17-11-9-14(10-12-17)16(2,3)4/h5-9H,10-12H2,1-4H3
InChIKeyTZQNPZJEBRCFJP-UHFFFAOYSA-N
XLogP3.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine
CID 114460479
4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-methylaniline
CID 114459742
5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-chloropyridine
CID 115774315
5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-fluoroaniline
CID 114459716
4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-chloroaniline
CID 114460480
1-(4-methylphenyl)sulfonyl-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 134379961
4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 121187247
1-(4-methylphenyl)sulfonyl-5-phenyl-2,3,4,7-tetrahydroazepine
CID 25193145
(8Z)-1,6-bis-(4-methylphenyl)sulfonyl-2,3,4,5,7,10-hexahydro-1,6-diazecine
CID 102269003
2-[5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]ethanol
CID 114460980
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4-chloroaniline
CID 114459734
[5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methanol
CID 114460972

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-tert-butyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine (CID 153307532) is 4-tert-butyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-tert-butyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-tert-butyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine is Cc1ccc(S(=O)(=O)N2CC=C(C(C)(C)C)CC2)cc1.
What is the InChIKey of 4-tert-butyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine?
The InChIKey is TZQNPZJEBRCFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-13-5-7-15(8-6-13)20(18,19)17-11-9-14(10-12-17)16(2,3)4/h5-9H,10-12H2,1-4H3.
What are the key properties of 4-tert-butyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine?
4-tert-butyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine has a molecular weight of 293.43 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 153307532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).