[(2-amino-2-ethylbutyl)sulfamoyl-methylamino]cyclohexane

C13H29N3O2S — CID 86780419

IUPAC[(2-amino-2-ethylbutyl)sulfamoyl-methylamino]cyclohexane
SMILESCCC(N)(CC)CNS(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H29N3O2S/c1-4-13(14,5-2)11-15-19(17,18)16(3)12-9-7-6-8-10-12/h12,15H,4-11,14H2,1-3H3
InChIKeySJPGBAWWWOHGRM-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.60
Rot. Bonds7

About [(2-amino-2-ethylbutyl)sulfamoyl-methylamino]cyclohexane

[(2-amino-2-ethylbutyl)sulfamoyl-methylamino]cyclohexane (PubChem CID 86780419) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is [(2-amino-2-ethylbutyl)sulfamoyl-methylamino]cyclohexane.

Molecular Properties

Compound Name[(2-amino-2-ethylbutyl)sulfamoyl-methylamino]cyclohexane
PubChem CID86780419
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name[(2-amino-2-ethylbutyl)sulfamoyl-methylamino]cyclohexane
SMILESCCC(N)(CC)CNS(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H29N3O2S/c1-4-13(14,5-2)11-15-19(17,18)16(3)12-9-7-6-8-10-12/h12,15H,4-11,14H2,1-3H3
InChIKeySJPGBAWWWOHGRM-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2-amino-2-ethylbutyl)sulfamoyl-methylamino]cyclohexane?
The IUPAC name of [(2-amino-2-ethylbutyl)sulfamoyl-methylamino]cyclohexane (CID 86780419) is [(2-amino-2-ethylbutyl)sulfamoyl-methylamino]cyclohexane.
What is the SMILES notation for [(2-amino-2-ethylbutyl)sulfamoyl-methylamino]cyclohexane?
The canonical SMILES for [(2-amino-2-ethylbutyl)sulfamoyl-methylamino]cyclohexane is CCC(N)(CC)CNS(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of [(2-amino-2-ethylbutyl)sulfamoyl-methylamino]cyclohexane?
The InChIKey is SJPGBAWWWOHGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-4-13(14,5-2)11-15-19(17,18)16(3)12-9-7-6-8-10-12/h12,15H,4-11,14H2,1-3H3.
What are the key properties of [(2-amino-2-ethylbutyl)sulfamoyl-methylamino]cyclohexane?
[(2-amino-2-ethylbutyl)sulfamoyl-methylamino]cyclohexane has a molecular weight of 291.46 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-amino-2-ethylbutyl)sulfamoyl-methylamino]cyclohexane is sourced from PubChem (CID 86780419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).