2-[5-(diethylamino)pentan-2-ylsulfamoyl]propanoic acid

C12H26N2O4S — CID 61454676

IUPAC2-[5-(diethylamino)pentan-2-ylsulfamoyl]propanoic acid
SMILESCCN(CC)CCCC(C)NS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C12H26N2O4S/c1-5-14(6-2)9-7-8-10(3)13-19(17,18)11(4)12(15)16/h10-11,13H,5-9H2,1-4H3,(H,15,16)
InChIKeyXNQWZOXGVLKQCP-UHFFFAOYSA-N
MW294.42 g/mol
LogP0.89
Rot. Bonds10

About 2-[5-(diethylamino)pentan-2-ylsulfamoyl]propanoic acid

2-[5-(diethylamino)pentan-2-ylsulfamoyl]propanoic acid (PubChem CID 61454676) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[5-(diethylamino)pentan-2-ylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[5-(diethylamino)pentan-2-ylsulfamoyl]propanoic acid
PubChem CID61454676
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC Name2-[5-(diethylamino)pentan-2-ylsulfamoyl]propanoic acid
SMILESCCN(CC)CCCC(C)NS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C12H26N2O4S/c1-5-14(6-2)9-7-8-10(3)13-19(17,18)11(4)12(15)16/h10-11,13H,5-9H2,1-4H3,(H,15,16)
InChIKeyXNQWZOXGVLKQCP-UHFFFAOYSA-N
XLogP0.89
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(pentan-2-ylsulfamoyl)propanoic acid
CID 61454436
N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide
CID 60642968
2-[5-(diethylamino)pentan-2-ylamino]-3-methylbutanoic acid
CID 103233778
4-[5-(diethylamino)pentan-2-ylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496126
N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
3-chloro-N-[5-(diethylamino)pentan-2-yl]propane-1-sulfonamide
CID 43654049
3-[5-(diethylamino)pentan-2-ylcarbamoylamino]-2-methylpropanoic acid
CID 62670098
(2R)-2-[5-(diethylamino)pentan-2-ylcarbamoylamino]pentanoic acid
CID 107565974
(2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide
CID 61147751
3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea
CID 116653954
N-[5-(diethylamino)pentan-2-yl]butanamide
CID 60707663
N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide
CID 107020634

Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylamino)pentan-2-ylsulfamoyl]propanoic acid?
The IUPAC name of 2-[5-(diethylamino)pentan-2-ylsulfamoyl]propanoic acid (CID 61454676) is 2-[5-(diethylamino)pentan-2-ylsulfamoyl]propanoic acid.
What is the SMILES notation for 2-[5-(diethylamino)pentan-2-ylsulfamoyl]propanoic acid?
The canonical SMILES for 2-[5-(diethylamino)pentan-2-ylsulfamoyl]propanoic acid is CCN(CC)CCCC(C)NS(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[5-(diethylamino)pentan-2-ylsulfamoyl]propanoic acid?
The InChIKey is XNQWZOXGVLKQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-5-14(6-2)9-7-8-10(3)13-19(17,18)11(4)12(15)16/h10-11,13H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 2-[5-(diethylamino)pentan-2-ylsulfamoyl]propanoic acid?
2-[5-(diethylamino)pentan-2-ylsulfamoyl]propanoic acid has a molecular weight of 294.42 g/mol, XLogP of 0.89, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylamino)pentan-2-ylsulfamoyl]propanoic acid is sourced from PubChem (CID 61454676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).