[(dimethylsulfamoylamino)methylamino]cyclohexane

C9H21N3O2S — CID 90941874

IUPAC[(dimethylsulfamoylamino)methylamino]cyclohexane
SMILESCN(C)S(=O)(=O)NCNC1CCCCC1
InChIInChI=1S/C9H21N3O2S/c1-12(2)15(13,14)11-8-10-9-6-4-3-5-7-9/h9-11H,3-8H2,1-2H3
InChIKeyYXQYDOYSUAEEPM-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.26
Rot. Bonds5

About [(dimethylsulfamoylamino)methylamino]cyclohexane

[(dimethylsulfamoylamino)methylamino]cyclohexane (PubChem CID 90941874) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is [(dimethylsulfamoylamino)methylamino]cyclohexane.

Molecular Properties

Compound Name[(dimethylsulfamoylamino)methylamino]cyclohexane
PubChem CID90941874
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name[(dimethylsulfamoylamino)methylamino]cyclohexane
SMILESCN(C)S(=O)(=O)NCNC1CCCCC1
InChIInChI=1S/C9H21N3O2S/c1-12(2)15(13,14)11-8-10-9-6-4-3-5-7-9/h9-11H,3-8H2,1-2H3
InChIKeyYXQYDOYSUAEEPM-UHFFFAOYSA-N
XLogP0.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(dimethylsulfamoylamino)methylamino]cyclohexane?
The IUPAC name of [(dimethylsulfamoylamino)methylamino]cyclohexane (CID 90941874) is [(dimethylsulfamoylamino)methylamino]cyclohexane.
What is the SMILES notation for [(dimethylsulfamoylamino)methylamino]cyclohexane?
The canonical SMILES for [(dimethylsulfamoylamino)methylamino]cyclohexane is CN(C)S(=O)(=O)NCNC1CCCCC1.
What is the InChIKey of [(dimethylsulfamoylamino)methylamino]cyclohexane?
The InChIKey is YXQYDOYSUAEEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-12(2)15(13,14)11-8-10-9-6-4-3-5-7-9/h9-11H,3-8H2,1-2H3.
What are the key properties of [(dimethylsulfamoylamino)methylamino]cyclohexane?
[(dimethylsulfamoylamino)methylamino]cyclohexane has a molecular weight of 235.35 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(dimethylsulfamoylamino)methylamino]cyclohexane is sourced from PubChem (CID 90941874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).