2-[di(butan-2-yl)sulfamoyl]acetic acid

C10H21NO4S — CID 18988670

IUPAC2-[di(butan-2-yl)sulfamoyl]acetic acid
SMILESCCC(C)N(C(C)CC)S(=O)(=O)CC(=O)O
InChIInChI=1S/C10H21NO4S/c1-5-8(3)11(9(4)6-2)16(14,15)7-10(12)13/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyHYJKBVGJFSVOAA-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.30
Rot. Bonds7

About 2-[di(butan-2-yl)sulfamoyl]acetic acid

2-[di(butan-2-yl)sulfamoyl]acetic acid (PubChem CID 18988670) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-[di(butan-2-yl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[di(butan-2-yl)sulfamoyl]acetic acid
PubChem CID18988670
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name2-[di(butan-2-yl)sulfamoyl]acetic acid
SMILESCCC(C)N(C(C)CC)S(=O)(=O)CC(=O)O
InChIInChI=1S/C10H21NO4S/c1-5-8(3)11(9(4)6-2)16(14,15)7-10(12)13/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyHYJKBVGJFSVOAA-UHFFFAOYSA-N
XLogP1.30
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[di(butan-2-yl)sulfamoyl]acetic acid?
The IUPAC name of 2-[di(butan-2-yl)sulfamoyl]acetic acid (CID 18988670) is 2-[di(butan-2-yl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[di(butan-2-yl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[di(butan-2-yl)sulfamoyl]acetic acid is CCC(C)N(C(C)CC)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[di(butan-2-yl)sulfamoyl]acetic acid?
The InChIKey is HYJKBVGJFSVOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-5-8(3)11(9(4)6-2)16(14,15)7-10(12)13/h8-9H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 2-[di(butan-2-yl)sulfamoyl]acetic acid?
2-[di(butan-2-yl)sulfamoyl]acetic acid has a molecular weight of 251.35 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(butan-2-yl)sulfamoyl]acetic acid is sourced from PubChem (CID 18988670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).