[2-(diethylamino)propylsulfamoyl-methylamino]cyclohexane

C14H31N3O2S — CID 47034025

IUPAC[2-(diethylamino)propylsulfamoyl-methylamino]cyclohexane
SMILESCCN(CC)C(C)CNS(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C14H31N3O2S/c1-5-17(6-2)13(3)12-15-20(18,19)16(4)14-10-8-7-9-11-14/h13-15H,5-12H2,1-4H3
InChIKeyCBMXXFBZIFMQHH-UHFFFAOYSA-N
MW305.49 g/mol
LogP1.82
Rot. Bonds8

About [2-(diethylamino)propylsulfamoyl-methylamino]cyclohexane

[2-(diethylamino)propylsulfamoyl-methylamino]cyclohexane (PubChem CID 47034025) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is [2-(diethylamino)propylsulfamoyl-methylamino]cyclohexane.

Molecular Properties

Compound Name[2-(diethylamino)propylsulfamoyl-methylamino]cyclohexane
PubChem CID47034025
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC Name[2-(diethylamino)propylsulfamoyl-methylamino]cyclohexane
SMILESCCN(CC)C(C)CNS(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C14H31N3O2S/c1-5-17(6-2)13(3)12-15-20(18,19)16(4)14-10-8-7-9-11-14/h13-15H,5-12H2,1-4H3
InChIKeyCBMXXFBZIFMQHH-UHFFFAOYSA-N
XLogP1.82
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)propylsulfamoyl-methylamino]cyclohexane?
The IUPAC name of [2-(diethylamino)propylsulfamoyl-methylamino]cyclohexane (CID 47034025) is [2-(diethylamino)propylsulfamoyl-methylamino]cyclohexane.
What is the SMILES notation for [2-(diethylamino)propylsulfamoyl-methylamino]cyclohexane?
The canonical SMILES for [2-(diethylamino)propylsulfamoyl-methylamino]cyclohexane is CCN(CC)C(C)CNS(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of [2-(diethylamino)propylsulfamoyl-methylamino]cyclohexane?
The InChIKey is CBMXXFBZIFMQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-5-17(6-2)13(3)12-15-20(18,19)16(4)14-10-8-7-9-11-14/h13-15H,5-12H2,1-4H3.
What are the key properties of [2-(diethylamino)propylsulfamoyl-methylamino]cyclohexane?
[2-(diethylamino)propylsulfamoyl-methylamino]cyclohexane has a molecular weight of 305.49 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)propylsulfamoyl-methylamino]cyclohexane is sourced from PubChem (CID 47034025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).