2-[(diethylsulfamoylamino)methyl]-3-methylbutanoic acid

C10H22N2O4S — CID 65221358

IUPAC2-[(diethylsulfamoylamino)methyl]-3-methylbutanoic acid
SMILESCCN(CC)S(=O)(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C10H22N2O4S/c1-5-12(6-2)17(15,16)11-7-9(8(3)4)10(13)14/h8-9,11H,5-7H2,1-4H3,(H,13,14)
InChIKeyGLRIWNINSNYYEN-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.52
Rot. Bonds8

About 2-[(diethylsulfamoylamino)methyl]-3-methylbutanoic acid

2-[(diethylsulfamoylamino)methyl]-3-methylbutanoic acid (PubChem CID 65221358) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[(diethylsulfamoylamino)methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(diethylsulfamoylamino)methyl]-3-methylbutanoic acid
PubChem CID65221358
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name2-[(diethylsulfamoylamino)methyl]-3-methylbutanoic acid
SMILESCCN(CC)S(=O)(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C10H22N2O4S/c1-5-12(6-2)17(15,16)11-7-9(8(3)4)10(13)14/h8-9,11H,5-7H2,1-4H3,(H,13,14)
InChIKeyGLRIWNINSNYYEN-UHFFFAOYSA-N
XLogP0.52
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(diethylsulfamoylamino)methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[(diethylsulfamoylamino)methyl]-3-methylbutanoic acid (CID 65221358) is 2-[(diethylsulfamoylamino)methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(diethylsulfamoylamino)methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[(diethylsulfamoylamino)methyl]-3-methylbutanoic acid is CCN(CC)S(=O)(=O)NCC(C(=O)O)C(C)C.
What is the InChIKey of 2-[(diethylsulfamoylamino)methyl]-3-methylbutanoic acid?
The InChIKey is GLRIWNINSNYYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-5-12(6-2)17(15,16)11-7-9(8(3)4)10(13)14/h8-9,11H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 2-[(diethylsulfamoylamino)methyl]-3-methylbutanoic acid?
2-[(diethylsulfamoylamino)methyl]-3-methylbutanoic acid has a molecular weight of 266.36 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(diethylsulfamoylamino)methyl]-3-methylbutanoic acid is sourced from PubChem (CID 65221358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).