ethyl N-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylsulfamoyl]carbamate

C13H27N3O4S — CID 114461320

IUPACethyl N-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)N(C)C1(CN)CCC(CC)CC1
InChIInChI=1S/C13H27N3O4S/c1-4-11-6-8-13(10-14,9-7-11)16(3)21(18,19)15-12(17)20-5-2/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyIUPGLDIOPCUDLW-UHFFFAOYSA-N
MW321.44 g/mol
LogP1.21
Rot. Bonds6

About ethyl N-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylsulfamoyl]carbamate

ethyl N-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylsulfamoyl]carbamate (PubChem CID 114461320) has the molecular formula C13H27N3O4S and a molecular weight of 321.44 g/mol. Its IUPAC name is ethyl N-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylsulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylsulfamoyl]carbamate
PubChem CID114461320
Molecular FormulaC13H27N3O4S
Molecular Weight321.44 g/mol
Exact Mass321.17
IUPAC Nameethyl N-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)N(C)C1(CN)CCC(CC)CC1
InChIInChI=1S/C13H27N3O4S/c1-4-11-6-8-13(10-14,9-7-11)16(3)21(18,19)15-12(17)20-5-2/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyIUPGLDIOPCUDLW-UHFFFAOYSA-N
XLogP1.21
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899
3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N,N-dimethylpropanamide
CID 62005272
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-ethyl-N-methylacetamide
CID 62008114
ethyl N-[(2-hydroxycyclohexyl)-methylsulfamoyl]carbamate
CID 102635643
1-(aminomethyl)-1-[cyclopropylsulfamoyl(ethyl)amino]-4-ethylcyclohexane
CID 114803828
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylethanesulfonamide
CID 62009820
3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylpropanamide
CID 62326757
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
CID 62008910
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropyl-N-ethylmethanesulfonamide
CID 64990033
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-carbamoylacetamide
CID 62009108
4-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylbutanamide
CID 63890528
N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-ethoxy-N-ethylethanesulfonamide
CID 63245674

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylsulfamoyl]carbamate?
The IUPAC name of ethyl N-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylsulfamoyl]carbamate (CID 114461320) is ethyl N-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylsulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylsulfamoyl]carbamate?
The canonical SMILES for ethyl N-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylsulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)N(C)C1(CN)CCC(CC)CC1.
What is the InChIKey of ethyl N-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylsulfamoyl]carbamate?
The InChIKey is IUPGLDIOPCUDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O4S/c1-4-11-6-8-13(10-14,9-7-11)16(3)21(18,19)15-12(17)20-5-2/h11H,4-10,14H2,1-3H3,(H,15,17).
What are the key properties of ethyl N-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylsulfamoyl]carbamate?
ethyl N-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylsulfamoyl]carbamate has a molecular weight of 321.44 g/mol, XLogP of 1.21, 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)-4-ethylcyclohexyl]-methylsulfamoyl]carbamate is sourced from PubChem (CID 114461320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).