3-methyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid

C10H22N2O4S — CID 65221005

IUPAC3-methyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid
SMILESCC(C)C(CNS(=O)(=O)N(C)C(C)C)C(=O)O
InChIInChI=1S/C10H22N2O4S/c1-7(2)9(10(13)14)6-11-17(15,16)12(5)8(3)4/h7-9,11H,6H2,1-5H3,(H,13,14)
InChIKeyXPNJTCGYEGUIJQ-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.52
Rot. Bonds7

About 3-methyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid

3-methyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid (PubChem CID 65221005) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-methyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid
PubChem CID65221005
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name3-methyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid
SMILESCC(C)C(CNS(=O)(=O)N(C)C(C)C)C(=O)O
InChIInChI=1S/C10H22N2O4S/c1-7(2)9(10(13)14)6-11-17(15,16)12(5)8(3)4/h7-9,11H,6H2,1-5H3,(H,13,14)
InChIKeyXPNJTCGYEGUIJQ-UHFFFAOYSA-N
XLogP0.52
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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 3-methyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid?
The IUPAC name of 3-methyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid (CID 65221005) is 3-methyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid?
The canonical SMILES for 3-methyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid is CC(C)C(CNS(=O)(=O)N(C)C(C)C)C(=O)O.
What is the InChIKey of 3-methyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid?
The InChIKey is XPNJTCGYEGUIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-7(2)9(10(13)14)6-11-17(15,16)12(5)8(3)4/h7-9,11H,6H2,1-5H3,(H,13,14).
What are the key properties of 3-methyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid?
3-methyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid has a molecular weight of 266.36 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid is sourced from PubChem (CID 65221005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).