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

C12H25N3O4S — CID 114461303

IUPACethyl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)N(CC)C1(CN)CCCCC1
InChIInChI=1S/C12H25N3O4S/c1-3-15(12(10-13)8-6-5-7-9-12)20(17,18)14-11(16)19-4-2/h3-10,13H2,1-2H3,(H,14,16)
InChIKeyGULRPMJILILMMP-UHFFFAOYSA-N
MW307.42 g/mol
LogP0.96
Rot. Bonds6

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

ethyl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate (PubChem CID 114461303) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is ethyl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate
PubChem CID114461303
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC Nameethyl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)N(CC)C1(CN)CCCCC1
InChIInChI=1S/C12H25N3O4S/c1-3-15(12(10-13)8-6-5-7-9-12)20(17,18)14-11(16)19-4-2/h3-10,13H2,1-2H3,(H,14,16)
InChIKeyGULRPMJILILMMP-UHFFFAOYSA-N
XLogP0.96
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-[(dimethylsulfamoylamino)methyl]cyclohexyl]carbamate
CID 53548218
ethyl N-[1-(aminomethyl)cyclohexyl]-N-propylcarbamate
CID 64418980
ethyl N-[1-(aminomethyl)cyclohexyl]-N-ethylcarbamate
CID 64420187
ethyl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate
CID 103352737
ethyl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate
CID 103441458
ethyl N-[3-(aminomethyl)pentan-3-yl-methylsulfamoyl]carbamate
CID 113588480
ethyl N-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonylcarbamate
CID 113589026
propan-2-yl N-[[1-(aminomethyl)cyclohexyl]sulfamoyl]carbamate
CID 114461108
ethyl N-[[1-(aminomethyl)cyclohexyl]sulfamoyl]carbamate
CID 114461109
ethyl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate
CID 114461121
propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate
CID 114461299
ethyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate
CID 114461300

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate?
The IUPAC name of ethyl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate (CID 114461303) is ethyl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate?
The canonical SMILES for ethyl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)N(CC)C1(CN)CCCCC1.
What is the InChIKey of ethyl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate?
The InChIKey is GULRPMJILILMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S/c1-3-15(12(10-13)8-6-5-7-9-12)20(17,18)14-11(16)19-4-2/h3-10,13H2,1-2H3,(H,14,16).
What are the key properties of ethyl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate?
ethyl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate has a molecular weight of 307.42 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate is sourced from PubChem (CID 114461303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).