ethyl 1-[2-methyl-2-[(4-methylphenyl)sulfonylamino]propyl]piperidine-4-carboxylate

C19H30N2O4S — CID 2320108

IUPACethyl 1-[2-methyl-2-[(4-methylphenyl)sulfonylamino]propyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(C)(C)NS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H30N2O4S/c1-5-25-18(22)16-10-12-21(13-11-16)14-19(3,4)20-26(23,24)17-8-6-15(2)7-9-17/h6-9,16,20H,5,10-14H2,1-4H3
InChIKeyAMECDDWBEZHJQG-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.33
Rot. Bonds7

About ethyl 1-[2-methyl-2-[(4-methylphenyl)sulfonylamino]propyl]piperidine-4-carboxylate

ethyl 1-[2-methyl-2-[(4-methylphenyl)sulfonylamino]propyl]piperidine-4-carboxylate (PubChem CID 2320108) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is ethyl 1-[2-methyl-2-[(4-methylphenyl)sulfonylamino]propyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-methyl-2-[(4-methylphenyl)sulfonylamino]propyl]piperidine-4-carboxylate
PubChem CID2320108
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Nameethyl 1-[2-methyl-2-[(4-methylphenyl)sulfonylamino]propyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(C)(C)NS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H30N2O4S/c1-5-25-18(22)16-10-12-21(13-11-16)14-19(3,4)20-26(23,24)17-8-6-15(2)7-9-17/h6-9,16,20H,5,10-14H2,1-4H3
InChIKeyAMECDDWBEZHJQG-UHFFFAOYSA-N
XLogP2.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-methyl-2-[(4-methylphenyl)sulfonylamino]propyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-methyl-2-[(4-methylphenyl)sulfonylamino]propyl]piperidine-4-carboxylate (CID 2320108) is ethyl 1-[2-methyl-2-[(4-methylphenyl)sulfonylamino]propyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-methyl-2-[(4-methylphenyl)sulfonylamino]propyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-methyl-2-[(4-methylphenyl)sulfonylamino]propyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CC(C)(C)NS(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of ethyl 1-[2-methyl-2-[(4-methylphenyl)sulfonylamino]propyl]piperidine-4-carboxylate?
The InChIKey is AMECDDWBEZHJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-5-25-18(22)16-10-12-21(13-11-16)14-19(3,4)20-26(23,24)17-8-6-15(2)7-9-17/h6-9,16,20H,5,10-14H2,1-4H3.
What are the key properties of ethyl 1-[2-methyl-2-[(4-methylphenyl)sulfonylamino]propyl]piperidine-4-carboxylate?
ethyl 1-[2-methyl-2-[(4-methylphenyl)sulfonylamino]propyl]piperidine-4-carboxylate has a molecular weight of 382.53 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-methyl-2-[(4-methylphenyl)sulfonylamino]propyl]piperidine-4-carboxylate is sourced from PubChem (CID 2320108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).