N,4-dimethyl-1-(2-methylphenyl)sulfonylpiperidin-4-amine

C14H22N2O2S — CID 115304789

IUPACN,4-dimethyl-1-(2-methylphenyl)sulfonylpiperidin-4-amine
SMILESCNC1(C)CCN(S(=O)(=O)c2ccccc2C)CC1
InChIInChI=1S/C14H22N2O2S/c1-12-6-4-5-7-13(12)19(17,18)16-10-8-14(2,15-3)9-11-16/h4-7,15H,8-11H2,1-3H3
InChIKeyFDOASIRJPVBTPM-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.76
Rot. Bonds3

About N,4-dimethyl-1-(2-methylphenyl)sulfonylpiperidin-4-amine

N,4-dimethyl-1-(2-methylphenyl)sulfonylpiperidin-4-amine (PubChem CID 115304789) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N,4-dimethyl-1-(2-methylphenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(2-methylphenyl)sulfonylpiperidin-4-amine
PubChem CID115304789
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN,4-dimethyl-1-(2-methylphenyl)sulfonylpiperidin-4-amine
SMILESCNC1(C)CCN(S(=O)(=O)c2ccccc2C)CC1
InChIInChI=1S/C14H22N2O2S/c1-12-6-4-5-7-13(12)19(17,18)16-10-8-14(2,15-3)9-11-16/h4-7,15H,8-11H2,1-3H3
InChIKeyFDOASIRJPVBTPM-UHFFFAOYSA-N
XLogP1.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 22214975
N,3-dimethyl-1-(2-methylphenyl)sulfonylpyrrolidine-3-carboxamide
CID 106150904
N,4-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
CID 115304763
1,3,5-tris[(2-methylphenyl)sulfonyl]-1,3,5-triazinane
CID 562883
2-(4,4-dimethylpiperidin-1-yl)sulfonylphenol
CID 81245578
2-(4,4-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 62929979
1-(3-bromophenyl)sulfonyl-N,4-dimethylpiperidin-4-amine
CID 115304834
N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 50914407
1-(2,2-dimethylpropyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 110290792
1-(2-methylphenyl)sulfonyl-4-propylsulfonylpiperazine
CID 110819045
3-[4-methyl-4-(methylamino)piperidin-1-yl]sulfonylbenzonitrile
CID 115304710
1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine
CID 62922388

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(2-methylphenyl)sulfonylpiperidin-4-amine?
The IUPAC name of N,4-dimethyl-1-(2-methylphenyl)sulfonylpiperidin-4-amine (CID 115304789) is N,4-dimethyl-1-(2-methylphenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for N,4-dimethyl-1-(2-methylphenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for N,4-dimethyl-1-(2-methylphenyl)sulfonylpiperidin-4-amine is CNC1(C)CCN(S(=O)(=O)c2ccccc2C)CC1.
What is the InChIKey of N,4-dimethyl-1-(2-methylphenyl)sulfonylpiperidin-4-amine?
The InChIKey is FDOASIRJPVBTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12-6-4-5-7-13(12)19(17,18)16-10-8-14(2,15-3)9-11-16/h4-7,15H,8-11H2,1-3H3.
What are the key properties of N,4-dimethyl-1-(2-methylphenyl)sulfonylpiperidin-4-amine?
N,4-dimethyl-1-(2-methylphenyl)sulfonylpiperidin-4-amine has a molecular weight of 282.41 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(2-methylphenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 115304789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).