ethyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate

C10H20N2O4S — CID 670002

IUPACethyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C10H20N2O4S/c1-4-16-10(13)9-5-7-12(8-6-9)17(14,15)11(2)3/h9H,4-8H2,1-3H3
InChIKeyNCISFTPZVRUJIL-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.07
Rot. Bonds4

About ethyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate

ethyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate (PubChem CID 670002) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is ethyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate
PubChem CID670002
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Nameethyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C10H20N2O4S/c1-4-16-10(13)9-5-7-12(8-6-9)17(14,15)11(2)3/h9H,4-8H2,1-3H3
InChIKeyNCISFTPZVRUJIL-UHFFFAOYSA-N
XLogP0.07
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-methylpiperidine-4-carboxylate
CID 11062856
Methyl 1-(methylsulfonyl)-4-piperidinecarboxylate
CID 2763709
Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate
CID 669104
Ethyl 1-(chlorosulfonyl)piperidine-4-carboxylate
CID 16228198
Methyl 1-(chlorosulfonyl)piperidine-4-carboxylate
CID 16228361
1-(Dimethylsulfamoyl)piperidine-4-carboxylic acid
CID 21076144
Methyl 1-sulfamoylpiperidine-4-carboxylate
CID 25323924
N-Methylisonipecotic acid, ethyl ester, hydrochloride
CID 52991957
Ethyl 1-(fluorosulfonyl)piperidine-4-carboxylate
CID 122235964
Ethyl 1-(cyanomethyl)piperidine-4-carboxylate
CID 20754608
[1-(Chlorosulfonyl)piperidin-4-yl]methyl acetate
CID 138040564
methyl 1-(dimethyl-S-aminosulfonimidoyl)piperidine-4-carboxylate hydrochloride
CID 139022590

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate (CID 670002) is ethyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of ethyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate?
The InChIKey is NCISFTPZVRUJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-4-16-10(13)9-5-7-12(8-6-9)17(14,15)11(2)3/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate?
ethyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate has a molecular weight of 264.35 g/mol, XLogP of 0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 670002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).