methyl 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride

C9H22ClN3O4S — CID 120824389

IUPACmethyl 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride
SMILESCNC(C)CNS(=O)(=O)N(C)CCC(=O)OC.Cl
InChIInChI=1S/C9H21N3O4S.ClH/c1-8(10-2)7-11-17(14,15)12(3)6-5-9(13)16-4;/h8,10-11H,5-7H2,1-4H3;1H
InChIKeyWLSALZDSGCTUPK-UHFFFAOYSA-N
MW303.81 g/mol
LogP-0.65
Rot. Bonds8

About methyl 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride

methyl 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride (PubChem CID 120824389) has the molecular formula C9H22ClN3O4S and a molecular weight of 303.81 g/mol. Its IUPAC name is methyl 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride
PubChem CID120824389
Molecular FormulaC9H22ClN3O4S
Molecular Weight303.81 g/mol
Exact Mass303.10
IUPAC Namemethyl 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride
SMILESCNC(C)CNS(=O)(=O)N(C)CCC(=O)OC.Cl
InChIInChI=1S/C9H21N3O4S.ClH/c1-8(10-2)7-11-17(14,15)12(3)6-5-9(13)16-4;/h8,10-11H,5-7H2,1-4H3;1H
InChIKeyWLSALZDSGCTUPK-UHFFFAOYSA-N
XLogP-0.65
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-methoxyethyl(methyl)sulfamoyl]amino]-2-(methylamino)propane
CID 120824684
methyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate
CID 115677986
methyl 4-[methyl(2-methylpropylsulfamoyl)amino]butanoate
CID 114816337
methyl 3-[2-hydroxypentylsulfamoyl(methyl)amino]propanoate
CID 115754514
3-[2-methoxypropylsulfamoyl(methyl)amino]propanoic acid
CID 102695739
methyl 3-[4-hydroxybutylsulfamoyl(methyl)amino]propanoate
CID 106840462
methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate
CID 114465476
1-(dimethylsulfamoylamino)-2-(methylamino)propane
CID 103512554
3-[2,2-dimethoxyethylsulfamoyl(methyl)amino]propanoic acid
CID 79548328
methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate
CID 113351676
methyl 3-[2-(carbamoylamino)ethylsulfamoyl-methylamino]propanoate
CID 83116212
methyl 3-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]amino]propanoate
CID 115669280

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride?
The IUPAC name of methyl 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride (CID 120824389) is methyl 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride is CNC(C)CNS(=O)(=O)N(C)CCC(=O)OC.Cl.
What is the InChIKey of methyl 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride?
The InChIKey is WLSALZDSGCTUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O4S.ClH/c1-8(10-2)7-11-17(14,15)12(3)6-5-9(13)16-4;/h8,10-11H,5-7H2,1-4H3;1H.
What are the key properties of methyl 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride?
methyl 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride has a molecular weight of 303.81 g/mol, XLogP of -0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride is sourced from PubChem (CID 120824389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).