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

C11H23N3O4S — CID 114461300

IUPACethyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)N(C)C1(CN)CCCCC1
InChIInChI=1S/C11H23N3O4S/c1-3-18-10(15)13-19(16,17)14(2)11(9-12)7-5-4-6-8-11/h3-9,12H2,1-2H3,(H,13,15)
InChIKeyUROVABQZHRQSFR-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.57
Rot. Bonds5

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

ethyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate (PubChem CID 114461300) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is ethyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate
PubChem CID114461300
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC Nameethyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)N(C)C1(CN)CCCCC1
InChIInChI=1S/C11H23N3O4S/c1-3-18-10(15)13-19(16,17)14(2)11(9-12)7-5-4-6-8-11/h3-9,12H2,1-2H3,(H,13,15)
InChIKeyUROVABQZHRQSFR-UHFFFAOYSA-N
XLogP0.57
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.57
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-(dimethylamino)cyclohexyl]methyl]carbamate
CID 60636371
ethyl N-[(1-aminocyclohexyl)methyl]carbamate
CID 61300036
ethyl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate
CID 103352737
ethyl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate
CID 103441458
methyl N-[[1-(aminomethyl)cyclohexyl]sulfamoyl]carbamate
CID 113588462
methyl N-[[1-(aminomethyl)cyclopentyl]-methylsulfamoyl]carbamate
CID 113588477
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

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate?
The IUPAC name of ethyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate (CID 114461300) is ethyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate?
The canonical SMILES for ethyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)N(C)C1(CN)CCCCC1.
What is the InChIKey of ethyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate?
The InChIKey is UROVABQZHRQSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-3-18-10(15)13-19(16,17)14(2)11(9-12)7-5-4-6-8-11/h3-9,12H2,1-2H3,(H,13,15).
What are the key properties of ethyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate?
ethyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate has a molecular weight of 293.39 g/mol, XLogP of 0.57, 5 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]-methylsulfamoyl]carbamate is sourced from PubChem (CID 114461300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).