1-(aminomethyl)-2-[ethyl(methylsulfamoyl)amino]cyclohexane

C10H23N3O2S — CID 114810985

IUPAC1-(aminomethyl)-2-[ethyl(methylsulfamoyl)amino]cyclohexane
SMILESCCN(C1CCCCC1CN)S(=O)(=O)NC
InChIInChI=1S/C10H23N3O2S/c1-3-13(16(14,15)12-2)10-7-5-4-6-9(10)8-11/h9-10,12H,3-8,11H2,1-2H3
InChIKeyKEYSHHRILJLKRC-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.29
Rot. Bonds5

About 1-(aminomethyl)-2-[ethyl(methylsulfamoyl)amino]cyclohexane

1-(aminomethyl)-2-[ethyl(methylsulfamoyl)amino]cyclohexane (PubChem CID 114810985) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[ethyl(methylsulfamoyl)amino]cyclohexane.

Molecular Properties

Compound Name1-(aminomethyl)-2-[ethyl(methylsulfamoyl)amino]cyclohexane
PubChem CID114810985
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name1-(aminomethyl)-2-[ethyl(methylsulfamoyl)amino]cyclohexane
SMILESCCN(C1CCCCC1CN)S(=O)(=O)NC
InChIInChI=1S/C10H23N3O2S/c1-3-13(16(14,15)12-2)10-7-5-4-6-9(10)8-11/h9-10,12H,3-8,11H2,1-2H3
InChIKeyKEYSHHRILJLKRC-UHFFFAOYSA-N
XLogP0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-2-[ethyl(propylsulfamoyl)amino]cyclopentane
CID 114810971
1-(aminomethyl)-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
CID 114810983
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylsulfonylmethanesulfonamide
CID 82842962
[2-aminoethyl(methylsulfamoyl)amino]cyclohexane
CID 114812756
N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-methylsulfonylpropanamide
CID 104520757
2-[[2-(aminomethyl)cyclohexyl]-methylamino]-N-methylacetamide
CID 43374646
2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine
CID 43293554
2-(aminomethyl)-N-cyclopentyl-N-methylcyclopentan-1-amine
CID 43293690
2-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclohexan-1-amine
CID 82965659
2-(aminomethyl)-N-ethyl-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine
CID 116502185
2-N-[2-(aminomethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103187895
1-[2-(aminomethyl)cyclopentyl]-1-ethyl-3,3-dimethylurea
CID 79153079

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[ethyl(methylsulfamoyl)amino]cyclohexane?
The IUPAC name of 1-(aminomethyl)-2-[ethyl(methylsulfamoyl)amino]cyclohexane (CID 114810985) is 1-(aminomethyl)-2-[ethyl(methylsulfamoyl)amino]cyclohexane.
What is the SMILES notation for 1-(aminomethyl)-2-[ethyl(methylsulfamoyl)amino]cyclohexane?
The canonical SMILES for 1-(aminomethyl)-2-[ethyl(methylsulfamoyl)amino]cyclohexane is CCN(C1CCCCC1CN)S(=O)(=O)NC.
What is the InChIKey of 1-(aminomethyl)-2-[ethyl(methylsulfamoyl)amino]cyclohexane?
The InChIKey is KEYSHHRILJLKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-3-13(16(14,15)12-2)10-7-5-4-6-9(10)8-11/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of 1-(aminomethyl)-2-[ethyl(methylsulfamoyl)amino]cyclohexane?
1-(aminomethyl)-2-[ethyl(methylsulfamoyl)amino]cyclohexane has a molecular weight of 249.38 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-[ethyl(methylsulfamoyl)amino]cyclohexane is sourced from PubChem (CID 114810985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).