1-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)methanesulfonamide

C14H22N2O4S2 — CID 110714984

IUPAC1-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H22N2O4S2/c1-12-5-3-4-6-13(12)11-22(19,20)15-14-7-9-16(10-8-14)21(2,17)18/h3-6,14-15H,7-11H2,1-2H3
InChIKeyGISHEWKJHFVLOW-UHFFFAOYSA-N
MW346.47 g/mol
LogP0.84
Rot. Bonds5

About 1-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)methanesulfonamide

1-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)methanesulfonamide (PubChem CID 110714984) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)methanesulfonamide
PubChem CID110714984
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC Name1-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H22N2O4S2/c1-12-5-3-4-6-13(12)11-22(19,20)15-14-7-9-16(10-8-14)21(2,17)18/h3-6,14-15H,7-11H2,1-2H3
InChIKeyGISHEWKJHFVLOW-UHFFFAOYSA-N
XLogP0.84
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)methanesulfonamide
CID 167848874
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 47134698
3-[(2-methylphenyl)methylsulfonylamino]cyclobutane-1-carboxylic acid
CID 136557825
N-(1-methyl-5-oxopyrrolidin-3-yl)-1-(2-methylphenyl)methanesulfonamide
CID 110736605
2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol
CID 43628772
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(2-methylphenyl)methanesulfonamide
CID 27210550
2-(2-methylphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide
CID 110736272
1-[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]-3-phenylurea
CID 110638075
N-[2-(2,6-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 84595460
(2R)-3-methoxy-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide
CID 99785782
N-cyclohexyl-2-(2-methylphenyl)ethanesulfonamide
CID 102119332
1-methylsulfonyl-N-(2-phenylpropyl)piperidin-4-amine
CID 43432051

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)methanesulfonamide?
The IUPAC name of 1-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)methanesulfonamide (CID 110714984) is 1-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)methanesulfonamide.
What is the SMILES notation for 1-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)methanesulfonamide?
The canonical SMILES for 1-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)methanesulfonamide?
The InChIKey is GISHEWKJHFVLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c1-12-5-3-4-6-13(12)11-22(19,20)15-14-7-9-16(10-8-14)21(2,17)18/h3-6,14-15H,7-11H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)methanesulfonamide?
1-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)methanesulfonamide has a molecular weight of 346.47 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)methanesulfonamide is sourced from PubChem (CID 110714984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).