4-(dipropylsulfamoylamino)butanoic acid

C10H22N2O4S — CID 43361170

IUPAC4-(dipropylsulfamoylamino)butanoic acid
SMILESCCCN(CCC)S(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C10H22N2O4S/c1-3-8-12(9-4-2)17(15,16)11-7-5-6-10(13)14/h11H,3-9H2,1-2H3,(H,13,14)
InChIKeyOKACYIOSRYEICJ-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.81
Rot. Bonds10

About 4-(dipropylsulfamoylamino)butanoic acid

4-(dipropylsulfamoylamino)butanoic acid (PubChem CID 43361170) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-(dipropylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name4-(dipropylsulfamoylamino)butanoic acid
PubChem CID43361170
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name4-(dipropylsulfamoylamino)butanoic acid
SMILESCCCN(CCC)S(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C10H22N2O4S/c1-3-8-12(9-4-2)17(15,16)11-7-5-6-10(13)14/h11H,3-9H2,1-2H3,(H,13,14)
InChIKeyOKACYIOSRYEICJ-UHFFFAOYSA-N
XLogP0.81
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[Propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid
CID 114805545
4-(Butylamino)butanoic acid
CID 12388043
4-[(3-Aminopropyl)(methyl)amino]butanoic acid
CID 54370397
3-(Dibutylsulfamoylamino)propanoic acid
CID 87891796
(2S)-2-amino-4-[3-(dimethylamino)propyl-(methylsulfamoyl)amino]butanoic acid
CID 89123897
(2S)-2-amino-4-[[3-(dimethylamino)propyl-methylsulfamoyl]amino]butanoic acid
CID 89123898
2-Amino-4-[3-(dimethylamino)propyl-(methylsulfamoyl)amino]butanoic acid
CID 89123899
(2S)-2-amino-4-[3-(dimethylamino)propylsulfamoylamino]butanoic acid
CID 89124191
2-Amino-4-[3-(dimethylamino)propylsulfamoylamino]butanoic acid
CID 89124193
4-[3-Aminopropyl(3-carboxypropyl)amino]butanoic acid
CID 134586696
CID 141884320
CID 141884320
4-(3-Carboxypropylamino)butanoic acid;ethane
CID 143528218

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylsulfamoylamino)butanoic acid?
The IUPAC name of 4-(dipropylsulfamoylamino)butanoic acid (CID 43361170) is 4-(dipropylsulfamoylamino)butanoic acid.
What is the SMILES notation for 4-(dipropylsulfamoylamino)butanoic acid?
The canonical SMILES for 4-(dipropylsulfamoylamino)butanoic acid is CCCN(CCC)S(=O)(=O)NCCCC(=O)O.
What is the InChIKey of 4-(dipropylsulfamoylamino)butanoic acid?
The InChIKey is OKACYIOSRYEICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-3-8-12(9-4-2)17(15,16)11-7-5-6-10(13)14/h11H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 4-(dipropylsulfamoylamino)butanoic acid?
4-(dipropylsulfamoylamino)butanoic acid has a molecular weight of 266.36 g/mol, XLogP of 0.81, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylsulfamoylamino)butanoic acid is sourced from PubChem (CID 43361170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).