4-[cyclopropylsulfamoyl(methyl)amino]butanoic acid

C8H16N2O4S — CID 114533537

IUPAC4-[cyclopropylsulfamoyl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)NC1CC1
InChIInChI=1S/C8H16N2O4S/c1-10(6-2-3-8(11)12)15(13,14)9-7-4-5-7/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyBJFLSNPBPLDRGN-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.22
Rot. Bonds7

About 4-[cyclopropylsulfamoyl(methyl)amino]butanoic acid

4-[cyclopropylsulfamoyl(methyl)amino]butanoic acid (PubChem CID 114533537) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 4-[cyclopropylsulfamoyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[cyclopropylsulfamoyl(methyl)amino]butanoic acid
PubChem CID114533537
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name4-[cyclopropylsulfamoyl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)NC1CC1
InChIInChI=1S/C8H16N2O4S/c1-10(6-2-3-8(11)12)15(13,14)9-7-4-5-7/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyBJFLSNPBPLDRGN-UHFFFAOYSA-N
XLogP-0.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylsulfamoyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[cyclopropylsulfamoyl(methyl)amino]butanoic acid (CID 114533537) is 4-[cyclopropylsulfamoyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[cyclopropylsulfamoyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[cyclopropylsulfamoyl(methyl)amino]butanoic acid is CN(CCCC(=O)O)S(=O)(=O)NC1CC1.
What is the InChIKey of 4-[cyclopropylsulfamoyl(methyl)amino]butanoic acid?
The InChIKey is BJFLSNPBPLDRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-10(6-2-3-8(11)12)15(13,14)9-7-4-5-7/h7,9H,2-6H2,1H3,(H,11,12).
What are the key properties of 4-[cyclopropylsulfamoyl(methyl)amino]butanoic acid?
4-[cyclopropylsulfamoyl(methyl)amino]butanoic acid has a molecular weight of 236.29 g/mol, XLogP of -0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylsulfamoyl(methyl)amino]butanoic acid is sourced from PubChem (CID 114533537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).