4-N-(diethylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine

C12H27N3O2S — CID 79122644

IUPAC4-N-(diethylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCCN(CC)S(=O)(=O)N(C)C1CCC(NC)CC1
InChIInChI=1S/C12H27N3O2S/c1-5-15(6-2)18(16,17)14(4)12-9-7-11(13-3)8-10-12/h11-13H,5-10H2,1-4H3
InChIKeyUUFNVVVSQWFIHE-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.04
Rot. Bonds6

About 4-N-(diethylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine

4-N-(diethylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 79122644) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is 4-N-(diethylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(diethylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID79122644
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name4-N-(diethylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCCN(CC)S(=O)(=O)N(C)C1CCC(NC)CC1
InChIInChI=1S/C12H27N3O2S/c1-5-15(6-2)18(16,17)14(4)12-9-7-11(13-3)8-10-12/h11-13H,5-10H2,1-4H3
InChIKeyUUFNVVVSQWFIHE-UHFFFAOYSA-N
XLogP1.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(diethylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(diethylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine (CID 79122644) is 4-N-(diethylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(diethylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(diethylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine is CCN(CC)S(=O)(=O)N(C)C1CCC(NC)CC1.
What is the InChIKey of 4-N-(diethylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is UUFNVVVSQWFIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-5-15(6-2)18(16,17)14(4)12-9-7-11(13-3)8-10-12/h11-13H,5-10H2,1-4H3.
What are the key properties of 4-N-(diethylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
4-N-(diethylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 277.43 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(diethylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 79122644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).