3-[methyl(propyl)sulfamoyl]propanoic acid

C7H15NO4S — CID 43271152

IUPAC3-[methyl(propyl)sulfamoyl]propanoic acid
SMILESCCCN(C)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C7H15NO4S/c1-3-5-8(2)13(11,12)6-4-7(9)10/h3-6H2,1-2H3,(H,9,10)
InChIKeyINMCUZPNODFWCE-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.13
Rot. Bonds6

About 3-[methyl(propyl)sulfamoyl]propanoic acid

3-[methyl(propyl)sulfamoyl]propanoic acid (PubChem CID 43271152) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 3-[methyl(propyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[methyl(propyl)sulfamoyl]propanoic acid
PubChem CID43271152
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name3-[methyl(propyl)sulfamoyl]propanoic acid
SMILESCCCN(C)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C7H15NO4S/c1-3-5-8(2)13(11,12)6-4-7(9)10/h3-6H2,1-2H3,(H,9,10)
InChIKeyINMCUZPNODFWCE-UHFFFAOYSA-N
XLogP0.13
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Dimethylsulfamoyl)propanoic acid
CID 28773888
2-(Dimethylsulfamoyl)acetic acid
CID 21533281
3-(N-methylmethanesulfonamido)propanoic acid
CID 39237378
2-(Diethylsulfamoyl)acetic acid
CID 28773414
1-(Ethanesulfonyl)azetidine-3-carboxylic acid
CID 49657923
1-(Propane-2-sulfonyl)azetidine-3-carboxylic acid
CID 64260669
4-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60891738
3-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60891739
2-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60952004
3-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60952154
2-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 61455049
2-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 61458199

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[methyl(propyl)sulfamoyl]propanoic acid (CID 43271152) is 3-[methyl(propyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[methyl(propyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[methyl(propyl)sulfamoyl]propanoic acid is CCCN(C)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[methyl(propyl)sulfamoyl]propanoic acid?
The InChIKey is INMCUZPNODFWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-3-5-8(2)13(11,12)6-4-7(9)10/h3-6H2,1-2H3,(H,9,10).
What are the key properties of 3-[methyl(propyl)sulfamoyl]propanoic acid?
3-[methyl(propyl)sulfamoyl]propanoic acid has a molecular weight of 209.27 g/mol, XLogP of 0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 43271152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).