N-methyl-1-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide

C14H22N2O2S — CID 79716981

IUPACN-methyl-1-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide
SMILESCN(CC1CCNCC1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-16(11-13-7-9-15-10-8-13)19(17,18)12-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3
InChIKeyTUNGGOUJRCJHCJ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.45
Rot. Bonds5

About N-methyl-1-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide

N-methyl-1-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide (PubChem CID 79716981) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-methyl-1-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide
PubChem CID79716981
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-methyl-1-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide
SMILESCN(CC1CCNCC1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-16(11-13-7-9-15-10-8-13)19(17,18)12-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3
InChIKeyTUNGGOUJRCJHCJ-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]benzoic acid
CID 60952320
N-methyl-1-methylsulfonyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 82842676
N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide
CID 61351029
N-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide
CID 21297481
1-[2-(aminomethyl)phenyl]-N-(cyclopropylmethyl)-N-methylmethanesulfonamide
CID 54884458
2-[benzylsulfonyl(cyclopropylmethyl)amino]acetic acid
CID 43656223
N-cyclopropyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79717324
1-(3-chlorophenyl)-N-methyl-N-(oxan-4-ylmethyl)methanesulfonamide
CID 91905216
N-methyl-N-piperidin-4-yl-1-pyridin-4-ylmethanesulfonamide
CID 71641545
N-methyl-4-phenyl-N-(piperidin-4-ylmethyl)butan-2-amine
CID 79707519
N-[3-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]benzenesulfonamide
CID 119931204
N-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide
CID 79717302

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide?
The IUPAC name of N-methyl-1-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide (CID 79716981) is N-methyl-1-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-methyl-1-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide?
The canonical SMILES for N-methyl-1-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide is CN(CC1CCNCC1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-methyl-1-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide?
The InChIKey is TUNGGOUJRCJHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-16(11-13-7-9-15-10-8-13)19(17,18)12-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3.
What are the key properties of N-methyl-1-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide?
N-methyl-1-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide is sourced from PubChem (CID 79716981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).