2-(dipropylsulfamoylamino)butanoic acid

C10H22N2O4S — CID 43470036

IUPAC2-(dipropylsulfamoylamino)butanoic acid
SMILESCCCN(CCC)S(=O)(=O)NC(CC)C(=O)O
InChIInChI=1S/C10H22N2O4S/c1-4-7-12(8-5-2)17(15,16)11-9(6-3)10(13)14/h9,11H,4-8H2,1-3H3,(H,13,14)
InChIKeyWNWFZFSRMGSEQX-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.81
Rot. Bonds9

About 2-(dipropylsulfamoylamino)butanoic acid

2-(dipropylsulfamoylamino)butanoic acid (PubChem CID 43470036) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-(dipropylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name2-(dipropylsulfamoylamino)butanoic acid
PubChem CID43470036
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name2-(dipropylsulfamoylamino)butanoic acid
SMILESCCCN(CCC)S(=O)(=O)NC(CC)C(=O)O
InChIInChI=1S/C10H22N2O4S/c1-4-7-12(8-5-2)17(15,16)11-9(6-3)10(13)14/h9,11H,4-8H2,1-3H3,(H,13,14)
InChIKeyWNWFZFSRMGSEQX-UHFFFAOYSA-N
XLogP0.81
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

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Related Compounds

2-(dipropylsulfamoylamino)-4-methoxybutanoic acid
CID 62479156
2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 61455877
(2R)-2-(dipropylsulfamoylamino)-3,3-dimethylbutanoic acid
CID 113353089
1-[propan-2-ylsulfamoyl(propyl)amino]propane
CID 60750604
dipropylsulfamoylcarbamic acid
CID 141168649
(2R)-2-(butylsulfonylamino)butanoic acid
CID 42255264
2-(dimethylsulfamoylamino)pentanoic acid
CID 43631196
(2S)-2-(diethylsulfamoylamino)-4-methoxy-4-oxobutanoic acid
CID 63307130
2-[(4-methoxy-4-oxobutyl)sulfonylamino]butanoic acid
CID 54952165
4-amino-2-[[butyl(methyl)sulfamoyl]amino]-4-oxobutanoic acid
CID 43169485
2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 43470011
1-amino-2-(dipropylsulfamoylamino)hexane
CID 80696553

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylsulfamoylamino)butanoic acid?
The IUPAC name of 2-(dipropylsulfamoylamino)butanoic acid (CID 43470036) is 2-(dipropylsulfamoylamino)butanoic acid.
What is the SMILES notation for 2-(dipropylsulfamoylamino)butanoic acid?
The canonical SMILES for 2-(dipropylsulfamoylamino)butanoic acid is CCCN(CCC)S(=O)(=O)NC(CC)C(=O)O.
What is the InChIKey of 2-(dipropylsulfamoylamino)butanoic acid?
The InChIKey is WNWFZFSRMGSEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-4-7-12(8-5-2)17(15,16)11-9(6-3)10(13)14/h9,11H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-(dipropylsulfamoylamino)butanoic acid?
2-(dipropylsulfamoylamino)butanoic acid has a molecular weight of 266.36 g/mol, XLogP of 0.81, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylsulfamoylamino)butanoic acid is sourced from PubChem (CID 43470036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).