2-(dipropylsulfamoyl)acetic acid

C8H17NO4S — CID 28773559

IUPAC2-(dipropylsulfamoyl)acetic acid
SMILESCCCN(CCC)S(=O)(=O)CC(=O)O
InChIInChI=1S/C8H17NO4S/c1-3-5-9(6-4-2)14(12,13)7-8(10)11/h3-7H2,1-2H3,(H,10,11)
InChIKeyKQKIEQSFJYUTIW-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.52
Rot. Bonds7

About 2-(dipropylsulfamoyl)acetic acid

2-(dipropylsulfamoyl)acetic acid (PubChem CID 28773559) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-(dipropylsulfamoyl)acetic acid.

Molecular Properties

Compound Name2-(dipropylsulfamoyl)acetic acid
PubChem CID28773559
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name2-(dipropylsulfamoyl)acetic acid
SMILESCCCN(CCC)S(=O)(=O)CC(=O)O
InChIInChI=1S/C8H17NO4S/c1-3-5-9(6-4-2)14(12,13)7-8(10)11/h3-7H2,1-2H3,(H,10,11)
InChIKeyKQKIEQSFJYUTIW-UHFFFAOYSA-N
XLogP0.52
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dipropylsulfamoyl)acetic acid?
The IUPAC name of 2-(dipropylsulfamoyl)acetic acid (CID 28773559) is 2-(dipropylsulfamoyl)acetic acid.
What is the SMILES notation for 2-(dipropylsulfamoyl)acetic acid?
The canonical SMILES for 2-(dipropylsulfamoyl)acetic acid is CCCN(CCC)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-(dipropylsulfamoyl)acetic acid?
The InChIKey is KQKIEQSFJYUTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-3-5-9(6-4-2)14(12,13)7-8(10)11/h3-7H2,1-2H3,(H,10,11).
What are the key properties of 2-(dipropylsulfamoyl)acetic acid?
2-(dipropylsulfamoyl)acetic acid has a molecular weight of 223.29 g/mol, XLogP of 0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylsulfamoyl)acetic acid is sourced from PubChem (CID 28773559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).