2-[(dimethylsulfamoylamino)methyl]butanoic acid

C7H16N2O4S — CID 65222503

IUPAC2-[(dimethylsulfamoylamino)methyl]butanoic acid
SMILESCCC(CNS(=O)(=O)N(C)C)C(=O)O
InChIInChI=1S/C7H16N2O4S/c1-4-6(7(10)11)5-8-14(12,13)9(2)3/h6,8H,4-5H2,1-3H3,(H,10,11)
InChIKeyQULXQPFNACRQQK-UHFFFAOYSA-N
MW224.28 g/mol
LogP-0.51
Rot. Bonds6

About 2-[(dimethylsulfamoylamino)methyl]butanoic acid

2-[(dimethylsulfamoylamino)methyl]butanoic acid (PubChem CID 65222503) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-[(dimethylsulfamoylamino)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(dimethylsulfamoylamino)methyl]butanoic acid
PubChem CID65222503
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name2-[(dimethylsulfamoylamino)methyl]butanoic acid
SMILESCCC(CNS(=O)(=O)N(C)C)C(=O)O
InChIInChI=1S/C7H16N2O4S/c1-4-6(7(10)11)5-8-14(12,13)9(2)3/h6,8H,4-5H2,1-3H3,(H,10,11)
InChIKeyQULXQPFNACRQQK-UHFFFAOYSA-N
XLogP-0.51
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylsulfamoylamino)methyl]butanoic acid?
The IUPAC name of 2-[(dimethylsulfamoylamino)methyl]butanoic acid (CID 65222503) is 2-[(dimethylsulfamoylamino)methyl]butanoic acid.
What is the SMILES notation for 2-[(dimethylsulfamoylamino)methyl]butanoic acid?
The canonical SMILES for 2-[(dimethylsulfamoylamino)methyl]butanoic acid is CCC(CNS(=O)(=O)N(C)C)C(=O)O.
What is the InChIKey of 2-[(dimethylsulfamoylamino)methyl]butanoic acid?
The InChIKey is QULXQPFNACRQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-4-6(7(10)11)5-8-14(12,13)9(2)3/h6,8H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 2-[(dimethylsulfamoylamino)methyl]butanoic acid?
2-[(dimethylsulfamoylamino)methyl]butanoic acid has a molecular weight of 224.28 g/mol, XLogP of -0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylsulfamoylamino)methyl]butanoic acid is sourced from PubChem (CID 65222503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).