1,3-dimethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane

C13H29N3O2S — CID 106068847

IUPAC1,3-dimethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
SMILESCNCCCN(C)S(=O)(=O)NC1CC(C)CC(C)C1
InChIInChI=1S/C13H29N3O2S/c1-11-8-12(2)10-13(9-11)15-19(17,18)16(4)7-5-6-14-3/h11-15H,5-10H2,1-4H3
InChIKeyMYRYZHTYIGXYSZ-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.19
Rot. Bonds7

About 1,3-dimethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane

1,3-dimethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane (PubChem CID 106068847) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane.

Molecular Properties

Compound Name1,3-dimethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
PubChem CID106068847
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name1,3-dimethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
SMILESCNCCCN(C)S(=O)(=O)NC1CC(C)CC(C)C1
InChIInChI=1S/C13H29N3O2S/c1-11-8-12(2)10-13(9-11)15-19(17,18)16(4)7-5-6-14-3/h11-15H,5-10H2,1-4H3
InChIKeyMYRYZHTYIGXYSZ-UHFFFAOYSA-N
XLogP1.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.19
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

1,1-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106068925
9-methyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-9-azabicyclo[3.3.1]nonane
CID 106067150
1,2-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]piperidine
CID 106074063
1,1,3,3-tetramethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106077353
3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]oxolane
CID 106072363
1-ethyl-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106002882
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 106058175
1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106067373
1-methyl-2-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]cyclopentane
CID 106088303
[[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane
CID 106058865
2-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]oxolane
CID 114106932
[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane
CID 106058824

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane?
The IUPAC name of 1,3-dimethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane (CID 106068847) is 1,3-dimethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane.
What is the SMILES notation for 1,3-dimethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane?
The canonical SMILES for 1,3-dimethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane is CNCCCN(C)S(=O)(=O)NC1CC(C)CC(C)C1.
What is the InChIKey of 1,3-dimethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane?
The InChIKey is MYRYZHTYIGXYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-11-8-12(2)10-13(9-11)15-19(17,18)16(4)7-5-6-14-3/h11-15H,5-10H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane?
1,3-dimethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane has a molecular weight of 291.46 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane is sourced from PubChem (CID 106068847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).