ethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate

C17H26N2O6S — CID 35308238

IUPACethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2cc(OC)c(OC)cc2C)CC1
InChIInChI=1S/C17H26N2O6S/c1-5-25-17(20)19-8-6-13(7-9-19)18-26(21,22)16-11-15(24-4)14(23-3)10-12(16)2/h10-11,13,18H,5-9H2,1-4H3
InChIKeyPTMAJFCGOYEDAD-UHFFFAOYSA-N
MW386.47 g/mol
LogP1.91
Rot. Bonds6

About ethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate

ethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate (PubChem CID 35308238) has the molecular formula C17H26N2O6S and a molecular weight of 386.47 g/mol. Its IUPAC name is ethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
PubChem CID35308238
Molecular FormulaC17H26N2O6S
Molecular Weight386.47 g/mol
Exact Mass386.15
IUPAC Nameethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2cc(OC)c(OC)cc2C)CC1
InChIInChI=1S/C17H26N2O6S/c1-5-25-17(20)19-8-6-13(7-9-19)18-26(21,22)16-11-15(24-4)14(23-3)10-12(16)2/h10-11,13,18H,5-9H2,1-4H3
InChIKeyPTMAJFCGOYEDAD-UHFFFAOYSA-N
XLogP1.91
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 32944673
ethyl 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 30923060
4,5-dimethoxy-2-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
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ethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945533
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108566166
methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821783
4-methoxy-2-methyl-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819180
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108564642
methyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821806
ethyl 4-[(4-methoxy-2,5-dimethylbenzoyl)amino]piperidine-1-carboxylate
CID 110761607
ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945526
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate (CID 35308238) is ethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NS(=O)(=O)c2cc(OC)c(OC)cc2C)CC1.
What is the InChIKey of ethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
The InChIKey is PTMAJFCGOYEDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O6S/c1-5-25-17(20)19-8-6-13(7-9-19)18-26(21,22)16-11-15(24-4)14(23-3)10-12(16)2/h10-11,13,18H,5-9H2,1-4H3.
What are the key properties of ethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
ethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate has a molecular weight of 386.47 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 35308238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).