methyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]furan-2-carboxylate;hydrochloride

C13H23ClN2O5S — CID 119985233

IUPACmethyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]furan-2-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(S(=O)(=O)NC(C)(CN)CC(C)C)o1.Cl
InChIInChI=1S/C13H22N2O5S.ClH/c1-9(2)7-13(3,8-14)15-21(17,18)11-6-5-10(20-11)12(16)19-4;/h5-6,9,15H,7-8,14H2,1-4H3;1H
InChIKeyIVABNIGGQLQGGW-UHFFFAOYSA-N
MW354.86 g/mol
LogP1.53
Rot. Bonds7

About methyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]furan-2-carboxylate;hydrochloride

methyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]furan-2-carboxylate;hydrochloride (PubChem CID 119985233) has the molecular formula C13H23ClN2O5S and a molecular weight of 354.86 g/mol. Its IUPAC name is methyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]furan-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]furan-2-carboxylate;hydrochloride
PubChem CID119985233
Molecular FormulaC13H23ClN2O5S
Molecular Weight354.86 g/mol
Exact Mass354.10
IUPAC Namemethyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]furan-2-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(S(=O)(=O)NC(C)(CN)CC(C)C)o1.Cl
InChIInChI=1S/C13H22N2O5S.ClH/c1-9(2)7-13(3,8-14)15-21(17,18)11-6-5-10(20-11)12(16)19-4;/h5-6,9,15H,7-8,14H2,1-4H3;1H
InChIKeyIVABNIGGQLQGGW-UHFFFAOYSA-N
XLogP1.53
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]furan-2-carboxylate;hydrochloride?
The IUPAC name of methyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]furan-2-carboxylate;hydrochloride (CID 119985233) is methyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]furan-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]furan-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]furan-2-carboxylate;hydrochloride is COC(=O)c1ccc(S(=O)(=O)NC(C)(CN)CC(C)C)o1.Cl.
What is the InChIKey of methyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]furan-2-carboxylate;hydrochloride?
The InChIKey is IVABNIGGQLQGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S.ClH/c1-9(2)7-13(3,8-14)15-21(17,18)11-6-5-10(20-11)12(16)19-4;/h5-6,9,15H,7-8,14H2,1-4H3;1H.
What are the key properties of methyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]furan-2-carboxylate;hydrochloride?
methyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]furan-2-carboxylate;hydrochloride has a molecular weight of 354.86 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]furan-2-carboxylate;hydrochloride is sourced from PubChem (CID 119985233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).