1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine

C19H22NO2S2+ — CID 166448571

IUPAC1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine
SMILESCc1ccc(S(=O)(=O)N2CC=C(c3cccs3)C([C+](C)C)C2)cc1
InChIInChI=1S/C19H22NO2S2/c1-14(2)18-13-20(11-10-17(18)19-5-4-12-23-19)24(21,22)16-8-6-15(3)7-9-16/h4-10,12,18H,11,13H2,1-3H3/q+1
InChIKeyDJNCMZXSEAUCJC-UHFFFAOYSA-N
MW360.52 g/mol
LogP4.37
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine

1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 166448571) has the molecular formula C19H22NO2S2+ and a molecular weight of 360.52 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine
PubChem CID166448571
Molecular FormulaC19H22NO2S2+
Molecular Weight360.52 g/mol
Exact Mass360.11
IUPAC Name1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine
SMILESCc1ccc(S(=O)(=O)N2CC=C(c3cccs3)C([C+](C)C)C2)cc1
InChIInChI=1S/C19H22NO2S2/c1-14(2)18-13-20(11-10-17(18)19-5-4-12-23-19)24(21,22)16-8-6-15(3)7-9-16/h4-10,12,18H,11,13H2,1-3H3/q+1
InChIKeyDJNCMZXSEAUCJC-UHFFFAOYSA-N
XLogP4.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Methylpropyl)-N-({5-[4-(Methylsulfonyl)phenyl]thiophen-2-Yl}methyl)-1-Phenylmethanesulfonamide
CID 77620538
Methyl[4-(4-phenylpiperidyl)-2-(2-thienyl)butyl](phenylsulfonyl)amine
CID 479876
Methyl[4-(4-phenylpiperidyl)-2-(3-thienyl)butyl](phenylsulfonyl)amine
CID 479877
N-methyl-N-[2-phenyl-4-[4-(3-phenylpropyl)-1-piperidyl]butyl]thiophene-2-sulfonamide
CID 489306
4-Phenyl-1-(3-thienylsulfonyl)-1,2,3,6-tetrahydropyridine
CID 2738369
N-[2-(4-thiophen-3-ylphenyl)propyl]propane-2-sulfonamide
CID 9873570
1-(3-Phenyl-cyclohex-3-enylmethyl)-4-thiophen-2-yl-1,2,3,6-tetrahydro-pyridine
CID 9974231
N-isobutyl-N-[5-(3-methanesulfonyl-phenyl)-thiophen-2-ylmethyl]-C-phenyl-methanesulfonamide
CID 25234324
N-(2-cyanoethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 141519191
4-{2-[(2-Thienylmethyl)amino]ethyl}benzenesulfonamide hydrochloride
CID 2968958
4-Benzyl-1-(2-thienylsulfonyl)piperidine
CID 674994
N-benzyl-N-methylthiophene-2-sulfonamide
CID 3157268

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine (CID 166448571) is 1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine is Cc1ccc(S(=O)(=O)N2CC=C(c3cccs3)C([C+](C)C)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is DJNCMZXSEAUCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22NO2S2/c1-14(2)18-13-20(11-10-17(18)19-5-4-12-23-19)24(21,22)16-8-6-15(3)7-9-16/h4-10,12,18H,11,13H2,1-3H3/q+1.
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine?
1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 360.52 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 166448571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).