ethyl N-[(2-amino-2-oxoethyl)-piperidin-3-ylsulfamoyl]carbamate

C10H20N4O5S — CID 114461853

IUPACethyl N-[(2-amino-2-oxoethyl)-piperidin-3-ylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)N(CC(N)=O)C1CCCNC1
InChIInChI=1S/C10H20N4O5S/c1-2-19-10(16)13-20(17,18)14(7-9(11)15)8-4-3-5-12-6-8/h8,12H,2-7H2,1H3,(H2,11,15)(H,13,16)
InChIKeyHGCRVQGBTDCUAI-UHFFFAOYSA-N
MW308.36 g/mol
LogP-1.48
Rot. Bonds6

About ethyl N-[(2-amino-2-oxoethyl)-piperidin-3-ylsulfamoyl]carbamate

ethyl N-[(2-amino-2-oxoethyl)-piperidin-3-ylsulfamoyl]carbamate (PubChem CID 114461853) has the molecular formula C10H20N4O5S and a molecular weight of 308.36 g/mol. Its IUPAC name is ethyl N-[(2-amino-2-oxoethyl)-piperidin-3-ylsulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2-amino-2-oxoethyl)-piperidin-3-ylsulfamoyl]carbamate
PubChem CID114461853
Molecular FormulaC10H20N4O5S
Molecular Weight308.36 g/mol
Exact Mass308.12
IUPAC Nameethyl N-[(2-amino-2-oxoethyl)-piperidin-3-ylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)N(CC(N)=O)C1CCCNC1
InChIInChI=1S/C10H20N4O5S/c1-2-19-10(16)13-20(17,18)14(7-9(11)15)8-4-3-5-12-6-8/h8,12H,2-7H2,1H3,(H2,11,15)(H,13,16)
InChIKeyHGCRVQGBTDCUAI-UHFFFAOYSA-N
XLogP-1.48
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2-amino-2-oxoethyl)-piperidin-3-ylsulfamoyl]carbamate?
The IUPAC name of ethyl N-[(2-amino-2-oxoethyl)-piperidin-3-ylsulfamoyl]carbamate (CID 114461853) is ethyl N-[(2-amino-2-oxoethyl)-piperidin-3-ylsulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[(2-amino-2-oxoethyl)-piperidin-3-ylsulfamoyl]carbamate?
The canonical SMILES for ethyl N-[(2-amino-2-oxoethyl)-piperidin-3-ylsulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)N(CC(N)=O)C1CCCNC1.
What is the InChIKey of ethyl N-[(2-amino-2-oxoethyl)-piperidin-3-ylsulfamoyl]carbamate?
The InChIKey is HGCRVQGBTDCUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O5S/c1-2-19-10(16)13-20(17,18)14(7-9(11)15)8-4-3-5-12-6-8/h8,12H,2-7H2,1H3,(H2,11,15)(H,13,16).
What are the key properties of ethyl N-[(2-amino-2-oxoethyl)-piperidin-3-ylsulfamoyl]carbamate?
ethyl N-[(2-amino-2-oxoethyl)-piperidin-3-ylsulfamoyl]carbamate has a molecular weight of 308.36 g/mol, XLogP of -1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2-amino-2-oxoethyl)-piperidin-3-ylsulfamoyl]carbamate is sourced from PubChem (CID 114461853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).