1-(4-methylsulfanylphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide

C23H28N2O3S2 — CID 99131679

IUPAC1-(4-methylsulfanylphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
SMILESCSc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1
InChIInChI=1S/C23H28N2O3S2/c1-29-19-9-11-20(12-10-19)30(27,28)25-15-13-18(14-16-25)23(26)24-22-8-4-6-17-5-2-3-7-21(17)22/h2-3,5,7,9-12,18,22H,4,6,8,13-16H2,1H3,(H,24,26)/t22-/m1/s1
InChIKeySCCAGWHDWGKMFK-JOCHJYFZSA-N
MW444.62 g/mol
LogP4.00
Rot. Bonds5

About 1-(4-methylsulfanylphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide

1-(4-methylsulfanylphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide (PubChem CID 99131679) has the molecular formula C23H28N2O3S2 and a molecular weight of 444.62 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
PubChem CID99131679
Molecular FormulaC23H28N2O3S2
Molecular Weight444.62 g/mol
Exact Mass444.15
IUPAC Name1-(4-methylsulfanylphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
SMILESCSc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1
InChIInChI=1S/C23H28N2O3S2/c1-29-19-9-11-20(12-10-19)30(27,28)25-15-13-18(14-16-25)23(26)24-22-8-4-6-17-5-2-3-7-21(17)22/h2-3,5,7,9-12,18,22H,4,6,8,13-16H2,1H3,(H,24,26)/t22-/m1/s1
InChIKeySCCAGWHDWGKMFK-JOCHJYFZSA-N
XLogP4.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylsulfanylphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 3761947
1-(3,4-dimethoxyphenyl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 43873029
1-ethylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 17435645
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 3195561
1-(dimethylsulfamoyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 93487580
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 40833937
(3S)-1-(benzenesulfonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 35763626
1-(4-methoxyphenyl)sulfonyl-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 100657012
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 93302727
1-(2,5-dichlorophenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 28551085
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 7092142
1-(4-fluorophenyl)sulfonyl-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 100653363

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-methylsulfanylphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide (CID 99131679) is 1-(4-methylsulfanylphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylsulfanylphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide is CSc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
The InChIKey is SCCAGWHDWGKMFK-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H28N2O3S2/c1-29-19-9-11-20(12-10-19)30(27,28)25-15-13-18(14-16-25)23(26)24-22-8-4-6-17-5-2-3-7-21(17)22/h2-3,5,7,9-12,18,22H,4,6,8,13-16H2,1H3,(H,24,26)/t22-/m1/s1.
What are the key properties of 1-(4-methylsulfanylphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
1-(4-methylsulfanylphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide has a molecular weight of 444.62 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide is sourced from PubChem (CID 99131679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).