[methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]cyclohexane

C12H27N3O2S — CID 113282568

IUPAC[methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
SMILESCNCC(C)CNS(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C12H27N3O2S/c1-11(9-13-2)10-14-18(16,17)15(3)12-7-5-4-6-8-12/h11-14H,4-10H2,1-3H3
InChIKeyDYXAMSRUWNANNU-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.94
Rot. Bonds7

About [methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]cyclohexane

[methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]cyclohexane (PubChem CID 113282568) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is [methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]cyclohexane.

Molecular Properties

Compound Name[methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
PubChem CID113282568
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name[methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
SMILESCNCC(C)CNS(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C12H27N3O2S/c1-11(9-13-2)10-14-18(16,17)15(3)12-7-5-4-6-8-12/h11-14H,4-10H2,1-3H3
InChIKeyDYXAMSRUWNANNU-UHFFFAOYSA-N
XLogP0.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(diethylamino)propylsulfamoyl-methylamino]cyclohexane
CID 47034025
[(2-amino-4-methylpentyl)sulfamoyl-methylamino]cyclohexane
CID 43606374
[methyl-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]amino]cyclohexane
CID 103834038
[2-hydroxypentylsulfamoyl(methyl)amino]cyclohexane
CID 115754506
[3-aminobutylsulfamoyl(methyl)amino]cyclohexane
CID 63253809
[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl-methylamino]cyclohexane
CID 103835504
4-[methyl(2-methylpropylsulfamoyl)amino]azepane
CID 107172951
[2-(ethylamino)ethylsulfamoyl-methylamino]cyclohexane
CID 55100441
[[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]sulfamoyl-methylamino]cyclopropane
CID 58826078
3-[methyl(2-methylpropylsulfamoyl)amino]piperidine
CID 114814263
[5-hydroxypentylsulfamoyl(methyl)amino]cyclohexane
CID 107319547
N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]acetamide
CID 47157246

Frequently Asked Questions

What is the IUPAC name of [methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]cyclohexane?
The IUPAC name of [methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]cyclohexane (CID 113282568) is [methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]cyclohexane.
What is the SMILES notation for [methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]cyclohexane?
The canonical SMILES for [methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]cyclohexane is CNCC(C)CNS(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of [methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]cyclohexane?
The InChIKey is DYXAMSRUWNANNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-11(9-13-2)10-14-18(16,17)15(3)12-7-5-4-6-8-12/h11-14H,4-10H2,1-3H3.
What are the key properties of [methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]cyclohexane?
[methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]cyclohexane has a molecular weight of 277.43 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]cyclohexane is sourced from PubChem (CID 113282568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).