1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide

C18H26N2O4S — CID 2955285

IUPAC1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NCC3CCCO3)C2)cc1
InChIInChI=1S/C18H26N2O4S/c1-14-6-8-17(9-7-14)25(22,23)20-10-2-4-15(13-20)18(21)19-12-16-5-3-11-24-16/h6-9,15-16H,2-5,10-13H2,1H3,(H,19,21)
InChIKeyFSKXIMWGZGUUEN-UHFFFAOYSA-N
MW366.48 g/mol
LogP1.69
Rot. Bonds5

About 1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide

1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 2955285) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID2955285
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NCC3CCCO3)C2)cc1
InChIInChI=1S/C18H26N2O4S/c1-14-6-8-17(9-7-14)25(22,23)20-10-2-4-15(13-20)18(21)19-12-16-5-3-11-24-16/h6-9,15-16H,2-5,10-13H2,1H3,(H,19,21)
InChIKeyFSKXIMWGZGUUEN-UHFFFAOYSA-N
XLogP1.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-Methylphenyl)sulfonyl]piperazinyl oxolan-2-yl ketone
CID 6469994
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-[(3S)-oxolan-3-yl]piperidine-3-carboxamide
CID 162365276
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-[(3R)-oxolan-3-yl]piperidine-3-carboxamide
CID 162365428
N-((2S)-1-oxo-1-(((tetrahydrofuran-2-yl)methyl)amino)propan-2-yl)-1-tosylpiperidine-4-carboxamide
CID 5389529
1-(benzylsulfonyl)-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide
CID 651955
N-isobutyl-4-[3-(4-morpholinyl)-3-oxopropyl]benzenesulfonamide
CID 1287984
3-{4-[(benzylamino)sulfonyl]phenyl}-N-(tetrahydro-2-furanylmethyl)propanamide
CID 2956531
3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 2997632
1-[(4-methylphenyl)sulfonyl]-N-[3-(propan-2-yloxy)propyl]piperidine-4-carboxamide
CID 3156693
1-(Toluene-4-sulfonyl)-piperidine-3-carboxylic acid (3-methoxy-propyl)-amide
CID 3156754
1-(3-Trifluoromethyl-benzenesulfonyl)-piperidine-3-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 3230729
4-({[(4-methylphenyl)sulfonyl]amino}methyl)-N-(3-morpholin-4-ylpropyl)cyclohexanecarboxamide
CID 3244467

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide (CID 2955285) is 1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NCC3CCCO3)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is FSKXIMWGZGUUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-14-6-8-17(9-7-14)25(22,23)20-10-2-4-15(13-20)18(21)19-12-16-5-3-11-24-16/h6-9,15-16H,2-5,10-13H2,1H3,(H,19,21).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 366.48 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 2955285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).