[(1-amino-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane

C11H25N3O2S — CID 55161591

IUPAC[(1-amino-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane
SMILESCN(C1CCCCC1)S(=O)(=O)NC(C)(C)CN
InChIInChI=1S/C11H25N3O2S/c1-11(2,9-12)13-17(15,16)14(3)10-7-5-4-6-8-10/h10,13H,4-9,12H2,1-3H3
InChIKeyCBRAPTMLAMQFFS-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.82
Rot. Bonds5

About [(1-amino-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane

[(1-amino-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane (PubChem CID 55161591) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is [(1-amino-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane.

Molecular Properties

Compound Name[(1-amino-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane
PubChem CID55161591
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name[(1-amino-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane
SMILESCN(C1CCCCC1)S(=O)(=O)NC(C)(C)CN
InChIInChI=1S/C11H25N3O2S/c1-11(2,9-12)13-17(15,16)14(3)10-7-5-4-6-8-10/h10,13H,4-9,12H2,1-3H3
InChIKeyCBRAPTMLAMQFFS-UHFFFAOYSA-N
XLogP0.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1-amino-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane?
The IUPAC name of [(1-amino-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane (CID 55161591) is [(1-amino-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane.
What is the SMILES notation for [(1-amino-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane?
The canonical SMILES for [(1-amino-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane is CN(C1CCCCC1)S(=O)(=O)NC(C)(C)CN.
What is the InChIKey of [(1-amino-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane?
The InChIKey is CBRAPTMLAMQFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-11(2,9-12)13-17(15,16)14(3)10-7-5-4-6-8-10/h10,13H,4-9,12H2,1-3H3.
What are the key properties of [(1-amino-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane?
[(1-amino-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane has a molecular weight of 263.41 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-amino-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane is sourced from PubChem (CID 55161591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).