ethyl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate

C11H23N3O4S — CID 114461121

IUPACethyl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NC1(CN)CCC(C)CC1
InChIInChI=1S/C11H23N3O4S/c1-3-18-10(15)13-19(16,17)14-11(8-12)6-4-9(2)5-7-11/h9,14H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyQUSUMLDHIMXBAM-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.47
Rot. Bonds5

About ethyl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate

ethyl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate (PubChem CID 114461121) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is ethyl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate
PubChem CID114461121
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC Nameethyl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NC1(CN)CCC(C)CC1
InChIInChI=1S/C11H23N3O4S/c1-3-18-10(15)13-19(16,17)14-11(8-12)6-4-9(2)5-7-11/h9,14H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyQUSUMLDHIMXBAM-UHFFFAOYSA-N
XLogP0.47
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.47
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)-4-methylcyclohexyl]sulfamoyl]carbamate?
The IUPAC name of ethyl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate (CID 114461121) is ethyl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)NC1(CN)CCC(C)CC1.
What is the InChIKey of ethyl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate?
The InChIKey is QUSUMLDHIMXBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-3-18-10(15)13-19(16,17)14-11(8-12)6-4-9(2)5-7-11/h9,14H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of ethyl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate?
ethyl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate has a molecular weight of 293.39 g/mol, XLogP of 0.47, 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)-4-methylcyclohexyl]sulfamoyl]carbamate is sourced from PubChem (CID 114461121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).