[(2-amino-4-methylpentyl)sulfamoyl-methylamino]cyclohexane

C13H29N3O2S — CID 43606374

IUPAC[(2-amino-4-methylpentyl)sulfamoyl-methylamino]cyclohexane
SMILESCC(C)CC(N)CNS(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H29N3O2S/c1-11(2)9-12(14)10-15-19(17,18)16(3)13-7-5-4-6-8-13/h11-13,15H,4-10,14H2,1-3H3
InChIKeyONZSRMJCPSVPGB-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.46
Rot. Bonds7

About [(2-amino-4-methylpentyl)sulfamoyl-methylamino]cyclohexane

[(2-amino-4-methylpentyl)sulfamoyl-methylamino]cyclohexane (PubChem CID 43606374) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is [(2-amino-4-methylpentyl)sulfamoyl-methylamino]cyclohexane.

Molecular Properties

Compound Name[(2-amino-4-methylpentyl)sulfamoyl-methylamino]cyclohexane
PubChem CID43606374
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name[(2-amino-4-methylpentyl)sulfamoyl-methylamino]cyclohexane
SMILESCC(C)CC(N)CNS(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H29N3O2S/c1-11(2)9-12(14)10-15-19(17,18)16(3)13-7-5-4-6-8-13/h11-13,15H,4-10,14H2,1-3H3
InChIKeyONZSRMJCPSVPGB-UHFFFAOYSA-N
XLogP1.46
TPSA75.43 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 ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-aminobutylsulfamoyl(methyl)amino]cyclohexane
CID 63253809
[methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 113282568
[2-(diethylamino)propylsulfamoyl-methylamino]cyclohexane
CID 47034025
N-(2-amino-4-methylpentyl)cyclopentanesulfonamide
CID 105361370
[methyl-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]amino]cyclohexane
CID 103834038
[2-hydroxypentylsulfamoyl(methyl)amino]cyclohexane
CID 115754506
4-[methyl(2-methylpropylsulfamoyl)amino]azepane
CID 107172951
[(1-hydroxy-4-methylpentan-2-yl)sulfamoyl-methylamino]cyclohexane
CID 61247247
[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl-methylamino]cyclohexane
CID 103835504
2-[[cyclohexyl(methyl)sulfamoyl]amino]-N,N,4-trimethylpentanamide
CID 47034956
3-[methyl(2-methylpropylsulfamoyl)amino]piperidine
CID 114814263
[2-(ethylamino)ethylsulfamoyl-methylamino]cyclohexane
CID 55100441

Frequently Asked Questions

What is the IUPAC name of [(2-amino-4-methylpentyl)sulfamoyl-methylamino]cyclohexane?
The IUPAC name of [(2-amino-4-methylpentyl)sulfamoyl-methylamino]cyclohexane (CID 43606374) is [(2-amino-4-methylpentyl)sulfamoyl-methylamino]cyclohexane.
What is the SMILES notation for [(2-amino-4-methylpentyl)sulfamoyl-methylamino]cyclohexane?
The canonical SMILES for [(2-amino-4-methylpentyl)sulfamoyl-methylamino]cyclohexane is CC(C)CC(N)CNS(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of [(2-amino-4-methylpentyl)sulfamoyl-methylamino]cyclohexane?
The InChIKey is ONZSRMJCPSVPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-11(2)9-12(14)10-15-19(17,18)16(3)13-7-5-4-6-8-13/h11-13,15H,4-10,14H2,1-3H3.
What are the key properties of [(2-amino-4-methylpentyl)sulfamoyl-methylamino]cyclohexane?
[(2-amino-4-methylpentyl)sulfamoyl-methylamino]cyclohexane has a molecular weight of 291.46 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-amino-4-methylpentyl)sulfamoyl-methylamino]cyclohexane is sourced from PubChem (CID 43606374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).