1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane

C15H33N3O2S — CID 106067373

IUPAC1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane
SMILESCCCNCCCN(C)S(=O)(=O)NC1CCC(C)C(C)C1
InChIInChI=1S/C15H33N3O2S/c1-5-9-16-10-6-11-18(4)21(19,20)17-15-8-7-13(2)14(3)12-15/h13-17H,5-12H2,1-4H3
InChIKeyONBBPKXTXAWCRU-UHFFFAOYSA-N
MW319.52 g/mol
LogP1.97
Rot. Bonds9

About 1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane

1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane (PubChem CID 106067373) has the molecular formula C15H33N3O2S and a molecular weight of 319.52 g/mol. Its IUPAC name is 1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane.

Molecular Properties

Compound Name1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane
PubChem CID106067373
Molecular FormulaC15H33N3O2S
Molecular Weight319.52 g/mol
Exact Mass319.23
IUPAC Name1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane
SMILESCCCNCCCN(C)S(=O)(=O)NC1CCC(C)C(C)C1
InChIInChI=1S/C15H33N3O2S/c1-5-9-16-10-6-11-18(4)21(19,20)17-15-8-7-13(2)14(3)12-15/h13-17H,5-12H2,1-4H3
InChIKeyONBBPKXTXAWCRU-UHFFFAOYSA-N
XLogP1.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclopentane
CID 106092201
[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane
CID 106058824
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclohexane
CID 106091345
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethylcyclobutane
CID 106084813
[[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane
CID 106058865
2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propan-2-ylcyclopropane
CID 106091151
N-(3,4-dimethylcyclohexyl)-1-(propylamino)propane-2-sulfonamide
CID 106067403
4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]thiane
CID 106084544
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-propylcyclopropane
CID 114112535
7-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 106074034
N-(3,4-dimethylcyclohexyl)ethanesulfonamide
CID 64748802
1,3-dimethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106068847

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane?
The IUPAC name of 1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane (CID 106067373) is 1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane.
What is the SMILES notation for 1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane?
The canonical SMILES for 1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane is CCCNCCCN(C)S(=O)(=O)NC1CCC(C)C(C)C1.
What is the InChIKey of 1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane?
The InChIKey is ONBBPKXTXAWCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2S/c1-5-9-16-10-6-11-18(4)21(19,20)17-15-8-7-13(2)14(3)12-15/h13-17H,5-12H2,1-4H3.
What are the key properties of 1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane?
1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane has a molecular weight of 319.52 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane is sourced from PubChem (CID 106067373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).