N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide

C16H25N3O3S — CID 136536254

IUPACN-[(2,5-dimethylphenyl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide
SMILESCc1ccc(C)c(CN(C)C(=O)C2CCN(S(N)(=O)=O)CC2)c1
InChIInChI=1S/C16H25N3O3S/c1-12-4-5-13(2)15(10-12)11-18(3)16(20)14-6-8-19(9-7-14)23(17,21)22/h4-5,10,14H,6-9,11H2,1-3H3,(H2,17,21,22)
InChIKeyIMOMBKLGRUOBSB-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.18
Rot. Bonds4

About N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide

N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide (PubChem CID 136536254) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide
PubChem CID136536254
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide
SMILESCc1ccc(C)c(CN(C)C(=O)C2CCN(S(N)(=O)=O)CC2)c1
InChIInChI=1S/C16H25N3O3S/c1-12-4-5-13(2)15(10-12)11-18(3)16(20)14-6-8-19(9-7-14)23(17,21)22/h4-5,10,14H,6-9,11H2,1-3H3,(H2,17,21,22)
InChIKeyIMOMBKLGRUOBSB-UHFFFAOYSA-N
XLogP1.18
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 27773885
4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512212
N-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004164
4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]piperidine-1-sulfonamide
CID 32601136
N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide
CID 47021840
1-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 99956036
N-methyl-N-(2-phenoxyethyl)-1-sulfamoylpiperidine-4-carboxamide
CID 39912164
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 125061960
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 26558333
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116
3-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115161715
N-(3-amino-2,2-dimethylpropyl)-1-(3,4-dimethylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 119653551

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide (CID 136536254) is N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide is Cc1ccc(C)c(CN(C)C(=O)C2CCN(S(N)(=O)=O)CC2)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide?
The InChIKey is IMOMBKLGRUOBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12-4-5-13(2)15(10-12)11-18(3)16(20)14-6-8-19(9-7-14)23(17,21)22/h4-5,10,14H,6-9,11H2,1-3H3,(H2,17,21,22).
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide?
N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide is sourced from PubChem (CID 136536254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).