2-methyl-4-(propylsulfamoylamino)butanoic acid

C8H18N2O4S — CID 114806702

IUPAC2-methyl-4-(propylsulfamoylamino)butanoic acid
SMILESCCCNS(=O)(=O)NCCC(C)C(=O)O
InChIInChI=1S/C8H18N2O4S/c1-3-5-9-15(13,14)10-6-4-7(2)8(11)12/h7,9-10H,3-6H2,1-2H3,(H,11,12)
InChIKeyDAMGETZWUVJDKP-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.07
Rot. Bonds8

About 2-methyl-4-(propylsulfamoylamino)butanoic acid

2-methyl-4-(propylsulfamoylamino)butanoic acid (PubChem CID 114806702) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-methyl-4-(propylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name2-methyl-4-(propylsulfamoylamino)butanoic acid
PubChem CID114806702
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name2-methyl-4-(propylsulfamoylamino)butanoic acid
SMILESCCCNS(=O)(=O)NCCC(C)C(=O)O
InChIInChI=1S/C8H18N2O4S/c1-3-5-9-15(13,14)10-6-4-7(2)8(11)12/h7,9-10H,3-6H2,1-2H3,(H,11,12)
InChIKeyDAMGETZWUVJDKP-UHFFFAOYSA-N
XLogP-0.07
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(propylsulfamoylamino)butanoic acid?
The IUPAC name of 2-methyl-4-(propylsulfamoylamino)butanoic acid (CID 114806702) is 2-methyl-4-(propylsulfamoylamino)butanoic acid.
What is the SMILES notation for 2-methyl-4-(propylsulfamoylamino)butanoic acid?
The canonical SMILES for 2-methyl-4-(propylsulfamoylamino)butanoic acid is CCCNS(=O)(=O)NCCC(C)C(=O)O.
What is the InChIKey of 2-methyl-4-(propylsulfamoylamino)butanoic acid?
The InChIKey is DAMGETZWUVJDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-3-5-9-15(13,14)10-6-4-7(2)8(11)12/h7,9-10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-4-(propylsulfamoylamino)butanoic acid?
2-methyl-4-(propylsulfamoylamino)butanoic acid has a molecular weight of 238.31 g/mol, XLogP of -0.07, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(propylsulfamoylamino)butanoic acid is sourced from PubChem (CID 114806702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).