methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl-methylamino]propanoate;hydrochloride

C11H26ClN3O4S — CID 119983413

IUPACmethyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl-methylamino]propanoate;hydrochloride
SMILESCOC(=O)CCN(C)S(=O)(=O)NC(CN)CC(C)C.Cl
InChIInChI=1S/C11H25N3O4S.ClH/c1-9(2)7-10(8-12)13-19(16,17)14(3)6-5-11(15)18-4;/h9-10,13H,5-8,12H2,1-4H3;1H
InChIKeyYYTPBYAGZRAMTM-UHFFFAOYSA-N
MW331.87 g/mol
LogP0.11
Rot. Bonds9

About methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl-methylamino]propanoate;hydrochloride

methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl-methylamino]propanoate;hydrochloride (PubChem CID 119983413) has the molecular formula C11H26ClN3O4S and a molecular weight of 331.87 g/mol. Its IUPAC name is methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl-methylamino]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl-methylamino]propanoate;hydrochloride
PubChem CID119983413
Molecular FormulaC11H26ClN3O4S
Molecular Weight331.87 g/mol
Exact Mass331.13
IUPAC Namemethyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl-methylamino]propanoate;hydrochloride
SMILESCOC(=O)CCN(C)S(=O)(=O)NC(CN)CC(C)C.Cl
InChIInChI=1S/C11H25N3O4S.ClH/c1-9(2)7-10(8-12)13-19(16,17)14(3)6-5-11(15)18-4;/h9-10,13H,5-8,12H2,1-4H3;1H
InChIKeyYYTPBYAGZRAMTM-UHFFFAOYSA-N
XLogP0.11
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 106840462
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methyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate
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methyl 3-[dimethylsulfamoyl(methyl)amino]propanoate
CID 61072575
methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate
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N-(1-amino-4-methylpentan-2-yl)-2-propan-2-yloxyethanesulfonamide;hydrochloride
CID 119983116

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl-methylamino]propanoate;hydrochloride?
The IUPAC name of methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl-methylamino]propanoate;hydrochloride (CID 119983413) is methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl-methylamino]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl-methylamino]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl-methylamino]propanoate;hydrochloride is COC(=O)CCN(C)S(=O)(=O)NC(CN)CC(C)C.Cl.
What is the InChIKey of methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl-methylamino]propanoate;hydrochloride?
The InChIKey is YYTPBYAGZRAMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O4S.ClH/c1-9(2)7-10(8-12)13-19(16,17)14(3)6-5-11(15)18-4;/h9-10,13H,5-8,12H2,1-4H3;1H.
What are the key properties of methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl-methylamino]propanoate;hydrochloride?
methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl-methylamino]propanoate;hydrochloride has a molecular weight of 331.87 g/mol, XLogP of 0.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl-methylamino]propanoate;hydrochloride is sourced from PubChem (CID 119983413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).