methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate

C15H22N2O4S — CID 110821783

IUPACmethyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NS(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C15H22N2O4S/c1-11-4-5-14(12(2)10-11)22(19,20)16-13-6-8-17(9-7-13)15(18)21-3/h4-5,10,13,16H,6-9H2,1-3H3
InChIKeyWDDDMZOVWAHBDY-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.81
Rot. Bonds3

About methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate

methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate (PubChem CID 110821783) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate
PubChem CID110821783
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Namemethyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NS(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C15H22N2O4S/c1-11-4-5-14(12(2)10-11)22(19,20)16-13-6-8-17(9-7-13)15(18)21-3/h4-5,10,13,16H,6-9H2,1-3H3
InChIKeyWDDDMZOVWAHBDY-UHFFFAOYSA-N
XLogP1.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyacetyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566788
methyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821806
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 39659124
2,4-dimethyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108566045
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566141
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108564771
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566445
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108565780
ethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 35308238
N-cyclododecyl-2,4-dimethylbenzenesulfonamide
CID 19681945
methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818495
ethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945533

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate (CID 110821783) is methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate is COC(=O)N1CCC(NS(=O)(=O)c2ccc(C)cc2C)CC1.
What is the InChIKey of methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate?
The InChIKey is WDDDMZOVWAHBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-11-4-5-14(12(2)10-11)22(19,20)16-13-6-8-17(9-7-13)15(18)21-3/h4-5,10,13,16H,6-9H2,1-3H3.
What are the key properties of methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate?
methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate has a molecular weight of 326.42 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 110821783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).