3-[cyclopentyl(methyl)sulfamoyl]propanoic acid

C9H17NO4S — CID 43267081

IUPAC3-[cyclopentyl(methyl)sulfamoyl]propanoic acid
SMILESCN(C1CCCC1)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H17NO4S/c1-10(8-4-2-3-5-8)15(13,14)7-6-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeySDPKKXDYTJTRLR-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.67
Rot. Bonds5

About 3-[cyclopentyl(methyl)sulfamoyl]propanoic acid

3-[cyclopentyl(methyl)sulfamoyl]propanoic acid (PubChem CID 43267081) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 3-[cyclopentyl(methyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[cyclopentyl(methyl)sulfamoyl]propanoic acid
PubChem CID43267081
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name3-[cyclopentyl(methyl)sulfamoyl]propanoic acid
SMILESCN(C1CCCC1)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H17NO4S/c1-10(8-4-2-3-5-8)15(13,14)7-6-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeySDPKKXDYTJTRLR-UHFFFAOYSA-N
XLogP0.67
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(methyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[cyclopentyl(methyl)sulfamoyl]propanoic acid (CID 43267081) is 3-[cyclopentyl(methyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[cyclopentyl(methyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[cyclopentyl(methyl)sulfamoyl]propanoic acid is CN(C1CCCC1)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[cyclopentyl(methyl)sulfamoyl]propanoic acid?
The InChIKey is SDPKKXDYTJTRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-10(8-4-2-3-5-8)15(13,14)7-6-9(11)12/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 3-[cyclopentyl(methyl)sulfamoyl]propanoic acid?
3-[cyclopentyl(methyl)sulfamoyl]propanoic acid has a molecular weight of 235.30 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(methyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 43267081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).