1-(aminomethyl)-1-[2-methoxyethylsulfamoyl(methyl)amino]-4-methylcyclohexane

C12H27N3O3S — CID 114813893

IUPAC1-(aminomethyl)-1-[2-methoxyethylsulfamoyl(methyl)amino]-4-methylcyclohexane
SMILESCOCCNS(=O)(=O)N(C)C1(CN)CCC(C)CC1
InChIInChI=1S/C12H27N3O3S/c1-11-4-6-12(10-13,7-5-11)15(2)19(16,17)14-8-9-18-3/h11,14H,4-10,13H2,1-3H3
InChIKeyFYUBGLVAHCVVOK-UHFFFAOYSA-N
MW293.43 g/mol
LogP0.31
Rot. Bonds7

About 1-(aminomethyl)-1-[2-methoxyethylsulfamoyl(methyl)amino]-4-methylcyclohexane

1-(aminomethyl)-1-[2-methoxyethylsulfamoyl(methyl)amino]-4-methylcyclohexane (PubChem CID 114813893) has the molecular formula C12H27N3O3S and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-(aminomethyl)-1-[2-methoxyethylsulfamoyl(methyl)amino]-4-methylcyclohexane.

Molecular Properties

Compound Name1-(aminomethyl)-1-[2-methoxyethylsulfamoyl(methyl)amino]-4-methylcyclohexane
PubChem CID114813893
Molecular FormulaC12H27N3O3S
Molecular Weight293.43 g/mol
Exact Mass293.18
IUPAC Name1-(aminomethyl)-1-[2-methoxyethylsulfamoyl(methyl)amino]-4-methylcyclohexane
SMILESCOCCNS(=O)(=O)N(C)C1(CN)CCC(C)CC1
InChIInChI=1S/C12H27N3O3S/c1-11-4-6-12(10-13,7-5-11)15(2)19(16,17)14-8-9-18-3/h11,14H,4-10,13H2,1-3H3
InChIKeyFYUBGLVAHCVVOK-UHFFFAOYSA-N
XLogP0.31
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methoxyethanesulfonamide
CID 62009615
1-(aminomethyl)-N-(3-methoxypropyl)-N,4-dimethylcyclohexan-1-amine
CID 62006737
1-[(2-methoxyethylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol
CID 114815694
1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 9161377
N-[1-(aminomethyl)-4-methylcyclohexyl]-N-methylmorpholine-4-sulfonamide
CID 62010619
1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine
CID 62006729
1-(aminomethyl)-1-[methyl(methylsulfamoyl)amino]cyclopentane
CID 114803856
N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide
CID 63290240
2-[2-methoxyethylsulfamoyl(methyl)amino]propane
CID 60768699
ethyl N-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylsulfamoyl]carbamate
CID 114461320
1-(aminomethyl)-4-methyl-1-[2-methylpropylsulfamoyl(propyl)amino]cyclohexane
CID 114813896
1-[2-methoxyethylsulfamoyl(methyl)amino]-4-oxocyclohexane
CID 114815357

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-1-[2-methoxyethylsulfamoyl(methyl)amino]-4-methylcyclohexane?
The IUPAC name of 1-(aminomethyl)-1-[2-methoxyethylsulfamoyl(methyl)amino]-4-methylcyclohexane (CID 114813893) is 1-(aminomethyl)-1-[2-methoxyethylsulfamoyl(methyl)amino]-4-methylcyclohexane.
What is the SMILES notation for 1-(aminomethyl)-1-[2-methoxyethylsulfamoyl(methyl)amino]-4-methylcyclohexane?
The canonical SMILES for 1-(aminomethyl)-1-[2-methoxyethylsulfamoyl(methyl)amino]-4-methylcyclohexane is COCCNS(=O)(=O)N(C)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-1-[2-methoxyethylsulfamoyl(methyl)amino]-4-methylcyclohexane?
The InChIKey is FYUBGLVAHCVVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3S/c1-11-4-6-12(10-13,7-5-11)15(2)19(16,17)14-8-9-18-3/h11,14H,4-10,13H2,1-3H3.
What are the key properties of 1-(aminomethyl)-1-[2-methoxyethylsulfamoyl(methyl)amino]-4-methylcyclohexane?
1-(aminomethyl)-1-[2-methoxyethylsulfamoyl(methyl)amino]-4-methylcyclohexane has a molecular weight of 293.43 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-1-[2-methoxyethylsulfamoyl(methyl)amino]-4-methylcyclohexane is sourced from PubChem (CID 114813893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).