4-(3,3-dimethylbutan-2-ylsulfamoyl)butanoic acid

C10H21NO4S — CID 104827551

IUPAC4-(3,3-dimethylbutan-2-ylsulfamoyl)butanoic acid
SMILESCC(NS(=O)(=O)CCCC(=O)O)C(C)(C)C
InChIInChI=1S/C10H21NO4S/c1-8(10(2,3)4)11-16(14,15)7-5-6-9(12)13/h8,11H,5-7H2,1-4H3,(H,12,13)
InChIKeyRRDSHJLBNFCMIH-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.21
Rot. Bonds6

About 4-(3,3-dimethylbutan-2-ylsulfamoyl)butanoic acid

4-(3,3-dimethylbutan-2-ylsulfamoyl)butanoic acid (PubChem CID 104827551) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-(3,3-dimethylbutan-2-ylsulfamoyl)butanoic acid.

Molecular Properties

Compound Name4-(3,3-dimethylbutan-2-ylsulfamoyl)butanoic acid
PubChem CID104827551
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name4-(3,3-dimethylbutan-2-ylsulfamoyl)butanoic acid
SMILESCC(NS(=O)(=O)CCCC(=O)O)C(C)(C)C
InChIInChI=1S/C10H21NO4S/c1-8(10(2,3)4)11-16(14,15)7-5-6-9(12)13/h8,11H,5-7H2,1-4H3,(H,12,13)
InChIKeyRRDSHJLBNFCMIH-UHFFFAOYSA-N
XLogP1.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-cyclohexylethylsulfamoyl)butanoic acid
CID 62406651
5-(3,3-dimethylbutan-2-ylamino)-5-oxopentanoic acid
CID 104827520
4-[1-(2,5-dimethylthiophen-3-yl)ethylsulfamoyl]butanoic acid
CID 43697794
4-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]butanoic acid
CID 107151263
5-(2,2-dimethylpropylsulfonylamino)hexanoic acid
CID 82854198
4-(3-hydroxybutylsulfamoyl)butanoic acid
CID 64928300
4-[(2-amino-3-hydroxybutyl)sulfamoyl]butanoic acid
CID 64541919
4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid
CID 55097859
3-(butan-2-ylsulfamoyl)propanoic acid
CID 43209514
3-[(1-amino-3-methylbutan-2-yl)sulfamoyl]propanoic acid
CID 65192775
methyl 4-(4,4,4-trifluorobutan-2-ylsulfamoyl)butanoate
CID 104854823
4-[(2-ethoxy-2-methylpropyl)sulfamoyl]butanoic acid
CID 114940682

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutan-2-ylsulfamoyl)butanoic acid?
The IUPAC name of 4-(3,3-dimethylbutan-2-ylsulfamoyl)butanoic acid (CID 104827551) is 4-(3,3-dimethylbutan-2-ylsulfamoyl)butanoic acid.
What is the SMILES notation for 4-(3,3-dimethylbutan-2-ylsulfamoyl)butanoic acid?
The canonical SMILES for 4-(3,3-dimethylbutan-2-ylsulfamoyl)butanoic acid is CC(NS(=O)(=O)CCCC(=O)O)C(C)(C)C.
What is the InChIKey of 4-(3,3-dimethylbutan-2-ylsulfamoyl)butanoic acid?
The InChIKey is RRDSHJLBNFCMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-8(10(2,3)4)11-16(14,15)7-5-6-9(12)13/h8,11H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 4-(3,3-dimethylbutan-2-ylsulfamoyl)butanoic acid?
4-(3,3-dimethylbutan-2-ylsulfamoyl)butanoic acid has a molecular weight of 251.35 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutan-2-ylsulfamoyl)butanoic acid is sourced from PubChem (CID 104827551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).