3-(dipropylsulfamoylamino)propanoic acid

C9H20N2O4S — CID 43169479

IUPAC3-(dipropylsulfamoylamino)propanoic acid
SMILESCCCN(CCC)S(=O)(=O)NCCC(=O)O
InChIInChI=1S/C9H20N2O4S/c1-3-7-11(8-4-2)16(14,15)10-6-5-9(12)13/h10H,3-8H2,1-2H3,(H,12,13)
InChIKeyJKACHJLZFRDXBH-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.42
Rot. Bonds9

About 3-(dipropylsulfamoylamino)propanoic acid

3-(dipropylsulfamoylamino)propanoic acid (PubChem CID 43169479) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-(dipropylsulfamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(dipropylsulfamoylamino)propanoic acid
PubChem CID43169479
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name3-(dipropylsulfamoylamino)propanoic acid
SMILESCCCN(CCC)S(=O)(=O)NCCC(=O)O
InChIInChI=1S/C9H20N2O4S/c1-3-7-11(8-4-2)16(14,15)10-6-5-9(12)13/h10H,3-8H2,1-2H3,(H,12,13)
InChIKeyJKACHJLZFRDXBH-UHFFFAOYSA-N
XLogP0.42
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dipropylsulfamoylamino)propanoic acid?
The IUPAC name of 3-(dipropylsulfamoylamino)propanoic acid (CID 43169479) is 3-(dipropylsulfamoylamino)propanoic acid.
What is the SMILES notation for 3-(dipropylsulfamoylamino)propanoic acid?
The canonical SMILES for 3-(dipropylsulfamoylamino)propanoic acid is CCCN(CCC)S(=O)(=O)NCCC(=O)O.
What is the InChIKey of 3-(dipropylsulfamoylamino)propanoic acid?
The InChIKey is JKACHJLZFRDXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-3-7-11(8-4-2)16(14,15)10-6-5-9(12)13/h10H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 3-(dipropylsulfamoylamino)propanoic acid?
3-(dipropylsulfamoylamino)propanoic acid has a molecular weight of 252.34 g/mol, XLogP of 0.42, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylsulfamoylamino)propanoic acid is sourced from PubChem (CID 43169479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).