[2-(dimethylamino)ethyl-(ethylsulfamoyl)amino]methylcyclohexane

C13H29N3O2S — CID 56795194

IUPAC[2-(dimethylamino)ethyl-(ethylsulfamoyl)amino]methylcyclohexane
SMILESCCNS(=O)(=O)N(CCN(C)C)CC1CCCCC1
InChIInChI=1S/C13H29N3O2S/c1-4-14-19(17,18)16(11-10-15(2)3)12-13-8-6-5-7-9-13/h13-14H,4-12H2,1-3H3
InChIKeyCDGDZOZWSNFRAM-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.28
Rot. Bonds8

About [2-(dimethylamino)ethyl-(ethylsulfamoyl)amino]methylcyclohexane

[2-(dimethylamino)ethyl-(ethylsulfamoyl)amino]methylcyclohexane (PubChem CID 56795194) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is [2-(dimethylamino)ethyl-(ethylsulfamoyl)amino]methylcyclohexane.

Molecular Properties

Compound Name[2-(dimethylamino)ethyl-(ethylsulfamoyl)amino]methylcyclohexane
PubChem CID56795194
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name[2-(dimethylamino)ethyl-(ethylsulfamoyl)amino]methylcyclohexane
SMILESCCNS(=O)(=O)N(CCN(C)C)CC1CCCCC1
InChIInChI=1S/C13H29N3O2S/c1-4-14-19(17,18)16(11-10-15(2)3)12-13-8-6-5-7-9-13/h13-14H,4-12H2,1-3H3
InChIKeyCDGDZOZWSNFRAM-UHFFFAOYSA-N
XLogP1.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)ethyl-(ethylsulfamoyl)amino]methylcyclohexane?
The IUPAC name of [2-(dimethylamino)ethyl-(ethylsulfamoyl)amino]methylcyclohexane (CID 56795194) is [2-(dimethylamino)ethyl-(ethylsulfamoyl)amino]methylcyclohexane.
What is the SMILES notation for [2-(dimethylamino)ethyl-(ethylsulfamoyl)amino]methylcyclohexane?
The canonical SMILES for [2-(dimethylamino)ethyl-(ethylsulfamoyl)amino]methylcyclohexane is CCNS(=O)(=O)N(CCN(C)C)CC1CCCCC1.
What is the InChIKey of [2-(dimethylamino)ethyl-(ethylsulfamoyl)amino]methylcyclohexane?
The InChIKey is CDGDZOZWSNFRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-4-14-19(17,18)16(11-10-15(2)3)12-13-8-6-5-7-9-13/h13-14H,4-12H2,1-3H3.
What are the key properties of [2-(dimethylamino)ethyl-(ethylsulfamoyl)amino]methylcyclohexane?
[2-(dimethylamino)ethyl-(ethylsulfamoyl)amino]methylcyclohexane has a molecular weight of 291.46 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)ethyl-(ethylsulfamoyl)amino]methylcyclohexane is sourced from PubChem (CID 56795194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).