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

C16H24N2O6S — CID 32944673

IUPACethyl 4-[(2,5-dimethoxyphenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2cc(OC)ccc2OC)CC1
InChIInChI=1S/C16H24N2O6S/c1-4-24-16(19)18-9-7-12(8-10-18)17-25(20,21)15-11-13(22-2)5-6-14(15)23-3/h5-6,11-12,17H,4,7-10H2,1-3H3
InChIKeyGENSMFQFTNRWRR-UHFFFAOYSA-N
MW372.44 g/mol
LogP1.60
Rot. Bonds6

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

ethyl 4-[(2,5-dimethoxyphenyl)sulfonylamino]piperidine-1-carboxylate (PubChem CID 32944673) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is ethyl 4-[(2,5-dimethoxyphenyl)sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2,5-dimethoxyphenyl)sulfonylamino]piperidine-1-carboxylate
PubChem CID32944673
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC Nameethyl 4-[(2,5-dimethoxyphenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2cc(OC)ccc2OC)CC1
InChIInChI=1S/C16H24N2O6S/c1-4-24-16(19)18-9-7-12(8-10-18)17-25(20,21)15-11-13(22-2)5-6-14(15)23-3/h5-6,11-12,17H,4,7-10H2,1-3H3
InChIKeyGENSMFQFTNRWRR-UHFFFAOYSA-N
XLogP1.60
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 35308238
N-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide
CID 18141546
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
2,5-dimethoxy-N-(4-methylcyclohexyl)benzenesulfonamide
CID 17377849
2,5-dimethoxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 60540087
ethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945533
ethyl 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 30923060
ethyl 4-[(4-methoxy-3-methylsulfonylbenzoyl)amino]piperidine-1-carboxylate
CID 110413308
ethyl 4-[[N'-[2-(2,5-dimethoxyphenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111044464
ethyl 4-[[3-(2,4-dimethoxyanilino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108950268
(3R)-3-[(5-amino-2-methoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylic acid
CID 68799883

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,5-dimethoxyphenyl)sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2,5-dimethoxyphenyl)sulfonylamino]piperidine-1-carboxylate (CID 32944673) is ethyl 4-[(2,5-dimethoxyphenyl)sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2,5-dimethoxyphenyl)sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2,5-dimethoxyphenyl)sulfonylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NS(=O)(=O)c2cc(OC)ccc2OC)CC1.
What is the InChIKey of ethyl 4-[(2,5-dimethoxyphenyl)sulfonylamino]piperidine-1-carboxylate?
The InChIKey is GENSMFQFTNRWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-4-24-16(19)18-9-7-12(8-10-18)17-25(20,21)15-11-13(22-2)5-6-14(15)23-3/h5-6,11-12,17H,4,7-10H2,1-3H3.
What are the key properties of ethyl 4-[(2,5-dimethoxyphenyl)sulfonylamino]piperidine-1-carboxylate?
ethyl 4-[(2,5-dimethoxyphenyl)sulfonylamino]piperidine-1-carboxylate has a molecular weight of 372.44 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,5-dimethoxyphenyl)sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 32944673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).