ethyl N-(piperidin-3-ylmethylsulfamoyl)carbamate

C9H19N3O4S — CID 114463214

IUPACethyl N-(piperidin-3-ylmethylsulfamoyl)carbamate
SMILESCCOC(=O)NS(=O)(=O)NCC1CCCNC1
InChIInChI=1S/C9H19N3O4S/c1-2-16-9(13)12-17(14,15)11-7-8-4-3-5-10-6-8/h8,10-11H,2-7H2,1H3,(H,12,13)
InChIKeyHYEWMPWLZCFPKT-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.43
Rot. Bonds5

About ethyl N-(piperidin-3-ylmethylsulfamoyl)carbamate

ethyl N-(piperidin-3-ylmethylsulfamoyl)carbamate (PubChem CID 114463214) has the molecular formula C9H19N3O4S and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl N-(piperidin-3-ylmethylsulfamoyl)carbamate.

Molecular Properties

Compound Nameethyl N-(piperidin-3-ylmethylsulfamoyl)carbamate
PubChem CID114463214
Molecular FormulaC9H19N3O4S
Molecular Weight265.33 g/mol
Exact Mass265.11
IUPAC Nameethyl N-(piperidin-3-ylmethylsulfamoyl)carbamate
SMILESCCOC(=O)NS(=O)(=O)NCC1CCCNC1
InChIInChI=1S/C9H19N3O4S/c1-2-16-9(13)12-17(14,15)11-7-8-4-3-5-10-6-8/h8,10-11H,2-7H2,1H3,(H,12,13)
InChIKeyHYEWMPWLZCFPKT-UHFFFAOYSA-N
XLogP-0.43
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-(2-piperidin-3-ylethylsulfamoyl)carbamate
CID 114463242
ethyl 2-(piperidin-3-ylmethylamino)acetate
CID 80554026
N-(piperidin-3-ylmethylsulfamoyl)propan-2-amine
CID 114807423
ethyl N-[(2-amino-2-oxoethyl)-piperidin-3-ylsulfamoyl]carbamate
CID 114461853
ethyl 2-[(3S)-piperidin-3-yl]acetate
CID 7016849
ethyl N-[[2-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate
CID 114466708
butyl N-(piperidin-3-ylmethyl)carbamate
CID 154053920
ethyl N-[[2-(bromomethyl)cyclopentyl]methylsulfamoyl]carbamate
CID 114466703
N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972626
ethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate
CID 114465230
N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 86317945
methyl N-[(4-aminocyclohexyl)methylsulfamoyl]carbamate
CID 106126310

Frequently Asked Questions

What is the IUPAC name of ethyl N-(piperidin-3-ylmethylsulfamoyl)carbamate?
The IUPAC name of ethyl N-(piperidin-3-ylmethylsulfamoyl)carbamate (CID 114463214) is ethyl N-(piperidin-3-ylmethylsulfamoyl)carbamate.
What is the SMILES notation for ethyl N-(piperidin-3-ylmethylsulfamoyl)carbamate?
The canonical SMILES for ethyl N-(piperidin-3-ylmethylsulfamoyl)carbamate is CCOC(=O)NS(=O)(=O)NCC1CCCNC1.
What is the InChIKey of ethyl N-(piperidin-3-ylmethylsulfamoyl)carbamate?
The InChIKey is HYEWMPWLZCFPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4S/c1-2-16-9(13)12-17(14,15)11-7-8-4-3-5-10-6-8/h8,10-11H,2-7H2,1H3,(H,12,13).
What are the key properties of ethyl N-(piperidin-3-ylmethylsulfamoyl)carbamate?
ethyl N-(piperidin-3-ylmethylsulfamoyl)carbamate has a molecular weight of 265.33 g/mol, XLogP of -0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(piperidin-3-ylmethylsulfamoyl)carbamate is sourced from PubChem (CID 114463214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).