N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide

C14H22N2O2S — CID 47134698

IUPACN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide
SMILESCc1ccccc1CN1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C14H22N2O2S/c1-12-5-3-4-6-13(12)11-16-9-7-14(8-10-16)15-19(2,17)18/h3-6,14-15H,7-11H2,1-2H3
InChIKeyOHKRTILTZUMXGQ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.51
Rot. Bonds4

About N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide

N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide (PubChem CID 47134698) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide
PubChem CID47134698
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide
SMILESCc1ccccc1CN1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C14H22N2O2S/c1-12-5-3-4-6-13(12)11-16-9-7-14(8-10-16)15-19(2,17)18/h3-6,14-15H,7-11H2,1-2H3
InChIKeyOHKRTILTZUMXGQ-UHFFFAOYSA-N
XLogP1.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 70726913
(2R)-3-methoxy-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide
CID 99785782
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
2,5-dimethoxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 60540087
3-bromo-5-chloro-2-methoxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 55914799
1-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)methanesulfonamide
CID 110714984
N-(2,6-dimethylphenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]acetamide
CID 86914366
2-[[4-(propylsulfonylamino)piperidin-1-yl]methyl]benzoic acid
CID 138003771
2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 87020158
1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 770603
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 55973375
1-(2-ethyl-2-hydroxybutyl)-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea
CID 110910101

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide (CID 47134698) is N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide is Cc1ccccc1CN1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is OHKRTILTZUMXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12-5-3-4-6-13(12)11-16-9-7-14(8-10-16)15-19(2,17)18/h3-6,14-15H,7-11H2,1-2H3.
What are the key properties of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide?
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 47134698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).