1-(aminomethyl)-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane

C12H27N3O2S — CID 54947771

IUPAC1-(aminomethyl)-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
SMILESCC1CCC(CN)(NS(=O)(=O)N(C)C(C)C)CC1
InChIInChI=1S/C12H27N3O2S/c1-10(2)15(4)18(16,17)14-12(9-13)7-5-11(3)6-8-12/h10-11,14H,5-9,13H2,1-4H3
InChIKeyUAQNUZWBUPHLLQ-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.07
Rot. Bonds5

About 1-(aminomethyl)-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane

1-(aminomethyl)-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane (PubChem CID 54947771) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane.

Molecular Properties

Compound Name1-(aminomethyl)-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
PubChem CID54947771
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name1-(aminomethyl)-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
SMILESCC1CCC(CN)(NS(=O)(=O)N(C)C(C)C)CC1
InChIInChI=1S/C12H27N3O2S/c1-10(2)15(4)18(16,17)14-12(9-13)7-5-11(3)6-8-12/h10-11,14H,5-9,13H2,1-4H3
InChIKeyUAQNUZWBUPHLLQ-UHFFFAOYSA-N
XLogP1.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
The IUPAC name of 1-(aminomethyl)-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane (CID 54947771) is 1-(aminomethyl)-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane.
What is the SMILES notation for 1-(aminomethyl)-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
The canonical SMILES for 1-(aminomethyl)-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane is CC1CCC(CN)(NS(=O)(=O)N(C)C(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
The InChIKey is UAQNUZWBUPHLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-10(2)15(4)18(16,17)14-12(9-13)7-5-11(3)6-8-12/h10-11,14H,5-9,13H2,1-4H3.
What are the key properties of 1-(aminomethyl)-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
1-(aminomethyl)-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane has a molecular weight of 277.43 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane is sourced from PubChem (CID 54947771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).