2-(1-cyclopropylbutan-2-ylsulfamoyl)acetic acid

C9H17NO4S — CID 63994838

IUPAC2-(1-cyclopropylbutan-2-ylsulfamoyl)acetic acid
SMILESCCC(CC1CC1)NS(=O)(=O)CC(=O)O
InChIInChI=1S/C9H17NO4S/c1-2-8(5-7-3-4-7)10-15(13,14)6-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyLMBKNLYDWINDDU-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.57
Rot. Bonds7

About 2-(1-cyclopropylbutan-2-ylsulfamoyl)acetic acid

2-(1-cyclopropylbutan-2-ylsulfamoyl)acetic acid (PubChem CID 63994838) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-(1-cyclopropylbutan-2-ylsulfamoyl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclopropylbutan-2-ylsulfamoyl)acetic acid
PubChem CID63994838
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name2-(1-cyclopropylbutan-2-ylsulfamoyl)acetic acid
SMILESCCC(CC1CC1)NS(=O)(=O)CC(=O)O
InChIInChI=1S/C9H17NO4S/c1-2-8(5-7-3-4-7)10-15(13,14)6-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyLMBKNLYDWINDDU-UHFFFAOYSA-N
XLogP0.57
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylbutan-2-ylsulfamoyl)acetic acid?
The IUPAC name of 2-(1-cyclopropylbutan-2-ylsulfamoyl)acetic acid (CID 63994838) is 2-(1-cyclopropylbutan-2-ylsulfamoyl)acetic acid.
What is the SMILES notation for 2-(1-cyclopropylbutan-2-ylsulfamoyl)acetic acid?
The canonical SMILES for 2-(1-cyclopropylbutan-2-ylsulfamoyl)acetic acid is CCC(CC1CC1)NS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-(1-cyclopropylbutan-2-ylsulfamoyl)acetic acid?
The InChIKey is LMBKNLYDWINDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-2-8(5-7-3-4-7)10-15(13,14)6-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-(1-cyclopropylbutan-2-ylsulfamoyl)acetic acid?
2-(1-cyclopropylbutan-2-ylsulfamoyl)acetic acid has a molecular weight of 235.30 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylbutan-2-ylsulfamoyl)acetic acid is sourced from PubChem (CID 63994838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).