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

C14H31N3O2S — CID 79110389

IUPAC4-N-(dipropylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCCCN(CCC)S(=O)(=O)N(C)C1CCC(NC)CC1
InChIInChI=1S/C14H31N3O2S/c1-5-11-17(12-6-2)20(18,19)16(4)14-9-7-13(15-3)8-10-14/h13-15H,5-12H2,1-4H3
InChIKeyHSQXRLWGDKZIFU-UHFFFAOYSA-N
MW305.49 g/mol
LogP1.82
Rot. Bonds8

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

4-N-(dipropylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 79110389) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is 4-N-(dipropylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(dipropylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID79110389
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC Name4-N-(dipropylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCCCN(CCC)S(=O)(=O)N(C)C1CCC(NC)CC1
InChIInChI=1S/C14H31N3O2S/c1-5-11-17(12-6-2)20(18,19)16(4)14-9-7-13(15-3)8-10-14/h13-15H,5-12H2,1-4H3
InChIKeyHSQXRLWGDKZIFU-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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Related Compounds

4-N-(diethylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122644
N-[4-[dibutylsulfamoyl(methyl)amino]cyclohexyl]acetamide
CID 166209367
1-N,4-N-dimethyl-4-N-[methyl(propan-2-yl)sulfamoyl]cyclohexane-1,4-diamine
CID 79123178
methyl 2-[[cyclohexyl(methyl)sulfamoyl]-propylamino]acetate
CID 60539567
1-cyclopropyl-N-methyl-N-[4-(methylamino)cyclohexyl]methanesulfonamide
CID 79122184
2-[methyl-[4-(methylamino)cyclohexyl]amino]-N,N-dipropylacetamide
CID 79110170
2-ethyl-N-methyl-N-[4-(methylamino)cyclohexyl]-1H-imidazole-5-sulfonamide
CID 79122800
N-[cyclohexyl(methyl)sulfamoyl]-N-propylazetidin-3-amine
CID 66213871
N-methyl-N-[4-(propylamino)cyclohexyl]propane-1-sulfonamide
CID 79122875
N-methyl-N-[4-(methylamino)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 79122258
[[2-aminoethyl(propyl)sulfamoyl]amino]cyclopropane
CID 114803733
2-[cyclobutyl(dipropylsulfamoyl)amino]ethanol
CID 102675795

Frequently Asked Questions

What is the IUPAC name of 4-N-(dipropylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(dipropylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine (CID 79110389) is 4-N-(dipropylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(dipropylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(dipropylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine is CCCN(CCC)S(=O)(=O)N(C)C1CCC(NC)CC1.
What is the InChIKey of 4-N-(dipropylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is HSQXRLWGDKZIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-5-11-17(12-6-2)20(18,19)16(4)14-9-7-13(15-3)8-10-14/h13-15H,5-12H2,1-4H3.
What are the key properties of 4-N-(dipropylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
4-N-(dipropylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine 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 4-N-(dipropylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 79110389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).