ethyl N-[[1-(aminomethyl)cyclohexyl]sulfamoyl]carbamate

C10H21N3O4S — CID 114461109

IUPACethyl N-[[1-(aminomethyl)cyclohexyl]sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NC1(CN)CCCCC1
InChIInChI=1S/C10H21N3O4S/c1-2-17-9(14)12-18(15,16)13-10(8-11)6-4-3-5-7-10/h13H,2-8,11H2,1H3,(H,12,14)
InChIKeyFGPIIGATKCCZHG-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.23
Rot. Bonds5

About ethyl N-[[1-(aminomethyl)cyclohexyl]sulfamoyl]carbamate

ethyl N-[[1-(aminomethyl)cyclohexyl]sulfamoyl]carbamate (PubChem CID 114461109) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is ethyl N-[[1-(aminomethyl)cyclohexyl]sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[1-(aminomethyl)cyclohexyl]sulfamoyl]carbamate
PubChem CID114461109
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC Nameethyl N-[[1-(aminomethyl)cyclohexyl]sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NC1(CN)CCCCC1
InChIInChI=1S/C10H21N3O4S/c1-2-17-9(14)12-18(15,16)13-10(8-11)6-4-3-5-7-10/h13H,2-8,11H2,1H3,(H,12,14)
InChIKeyFGPIIGATKCCZHG-UHFFFAOYSA-N
XLogP0.23
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[[1-(aminomethyl)cyclohexyl]sulfamoyl]carbamate?
The IUPAC name of ethyl N-[[1-(aminomethyl)cyclohexyl]sulfamoyl]carbamate (CID 114461109) is ethyl N-[[1-(aminomethyl)cyclohexyl]sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[[1-(aminomethyl)cyclohexyl]sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[[1-(aminomethyl)cyclohexyl]sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)NC1(CN)CCCCC1.
What is the InChIKey of ethyl N-[[1-(aminomethyl)cyclohexyl]sulfamoyl]carbamate?
The InChIKey is FGPIIGATKCCZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4S/c1-2-17-9(14)12-18(15,16)13-10(8-11)6-4-3-5-7-10/h13H,2-8,11H2,1H3,(H,12,14).
What are the key properties of ethyl N-[[1-(aminomethyl)cyclohexyl]sulfamoyl]carbamate?
ethyl N-[[1-(aminomethyl)cyclohexyl]sulfamoyl]carbamate has a molecular weight of 279.36 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[1-(aminomethyl)cyclohexyl]sulfamoyl]carbamate is sourced from PubChem (CID 114461109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).