4-[methyl(2-methylpropylsulfamoyl)amino]azepane

C11H25N3O2S — CID 107172951

IUPAC4-[methyl(2-methylpropylsulfamoyl)amino]azepane
SMILESCC(C)CNS(=O)(=O)N(C)C1CCCNCC1
InChIInChI=1S/C11H25N3O2S/c1-10(2)9-13-17(15,16)14(3)11-5-4-7-12-8-6-11/h10-13H,4-9H2,1-3H3
InChIKeyJRXFPXOPAXKXMH-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.55
Rot. Bonds5

About 4-[methyl(2-methylpropylsulfamoyl)amino]azepane

4-[methyl(2-methylpropylsulfamoyl)amino]azepane (PubChem CID 107172951) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 4-[methyl(2-methylpropylsulfamoyl)amino]azepane.

Molecular Properties

Compound Name4-[methyl(2-methylpropylsulfamoyl)amino]azepane
PubChem CID107172951
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name4-[methyl(2-methylpropylsulfamoyl)amino]azepane
SMILESCC(C)CNS(=O)(=O)N(C)C1CCCNCC1
InChIInChI=1S/C11H25N3O2S/c1-10(2)9-13-17(15,16)14(3)11-5-4-7-12-8-6-11/h10-13H,4-9H2,1-3H3
InChIKeyJRXFPXOPAXKXMH-UHFFFAOYSA-N
XLogP0.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(2-methylpropylsulfamoyl)amino]piperidine
CID 114814263
[(2-amino-4-methylpentyl)sulfamoyl-methylamino]cyclohexane
CID 43606374
2-[2-methylpropylsulfamoyl(piperidin-4-yl)amino]acetamide
CID 114816010
[methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 113282568
[2-(diethylamino)propylsulfamoyl-methylamino]cyclohexane
CID 47034025
1-[2-[[cyclohexyl(methyl)sulfamoyl]amino]acetyl]piperazine
CID 60894938
[[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]sulfamoyl-methylamino]cyclopropane
CID 58826078
[methyl-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]amino]cyclohexane
CID 103834038
3-[[2-methylpropylsulfamoyl(propyl)amino]methyl]piperidine
CID 106631308
N-(azepan-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide
CID 107173016
[2-hydroxypentylsulfamoyl(methyl)amino]cyclohexane
CID 115754506
N-methyl-N-piperidin-4-ylethanesulfonamide
CID 43606907

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-methylpropylsulfamoyl)amino]azepane?
The IUPAC name of 4-[methyl(2-methylpropylsulfamoyl)amino]azepane (CID 107172951) is 4-[methyl(2-methylpropylsulfamoyl)amino]azepane.
What is the SMILES notation for 4-[methyl(2-methylpropylsulfamoyl)amino]azepane?
The canonical SMILES for 4-[methyl(2-methylpropylsulfamoyl)amino]azepane is CC(C)CNS(=O)(=O)N(C)C1CCCNCC1.
What is the InChIKey of 4-[methyl(2-methylpropylsulfamoyl)amino]azepane?
The InChIKey is JRXFPXOPAXKXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-10(2)9-13-17(15,16)14(3)11-5-4-7-12-8-6-11/h10-13H,4-9H2,1-3H3.
What are the key properties of 4-[methyl(2-methylpropylsulfamoyl)amino]azepane?
4-[methyl(2-methylpropylsulfamoyl)amino]azepane has a molecular weight of 263.41 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-methylpropylsulfamoyl)amino]azepane is sourced from PubChem (CID 107172951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).