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

C15H33N3O2S — CID 106077353

IUPAC1,1,3,3-tetramethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
SMILESCNCCCN(C)S(=O)(=O)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H33N3O2S/c1-14(2)10-13(11-15(3,4)12-14)17-21(19,20)18(6)9-7-8-16-5/h13,16-17H,7-12H2,1-6H3
InChIKeyRCCGZWOQJJWTMY-UHFFFAOYSA-N
MW319.52 g/mol
LogP1.97
Rot. Bonds7

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

1,1,3,3-tetramethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane (PubChem CID 106077353) has the molecular formula C15H33N3O2S and a molecular weight of 319.52 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
PubChem CID106077353
Molecular FormulaC15H33N3O2S
Molecular Weight319.52 g/mol
Exact Mass319.23
IUPAC Name1,1,3,3-tetramethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
SMILESCNCCCN(C)S(=O)(=O)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H33N3O2S/c1-14(2)10-13(11-15(3,4)12-14)17-21(19,20)18(6)9-7-8-16-5/h13,16-17H,7-12H2,1-6H3
InChIKeyRCCGZWOQJJWTMY-UHFFFAOYSA-N
XLogP1.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

1,1-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106068925
1,3-dimethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106068847
3-(methylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-1-sulfonamide
CID 106077359
3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]oxolane
CID 106072363
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-ethyl-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106002882
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 106058175
2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane
CID 106070981
N,N'-dimethyl-N'-(3,3,5,5-tetramethylcyclohexyl)ethane-1,2-diamine
CID 112682555
1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine
CID 114135483
[[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane
CID 106058865

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane?
The IUPAC name of 1,1,3,3-tetramethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane (CID 106077353) is 1,1,3,3-tetramethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane.
What is the SMILES notation for 1,1,3,3-tetramethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane?
The canonical SMILES for 1,1,3,3-tetramethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane is CNCCCN(C)S(=O)(=O)NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1,1,3,3-tetramethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane?
The InChIKey is RCCGZWOQJJWTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2S/c1-14(2)10-13(11-15(3,4)12-14)17-21(19,20)18(6)9-7-8-16-5/h13,16-17H,7-12H2,1-6H3.
What are the key properties of 1,1,3,3-tetramethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane?
1,1,3,3-tetramethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane has a molecular weight of 319.52 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane is sourced from PubChem (CID 106077353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).