3-[cyclopentylmethyl(methyl)sulfamoyl]propanoic acid

C10H19NO4S — CID 63631065

IUPAC3-[cyclopentylmethyl(methyl)sulfamoyl]propanoic acid
SMILESCN(CC1CCCC1)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H19NO4S/c1-11(8-9-4-2-3-5-9)16(14,15)7-6-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyFKACTOLNZZLVQJ-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.91
Rot. Bonds6

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

3-[cyclopentylmethyl(methyl)sulfamoyl]propanoic acid (PubChem CID 63631065) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-[cyclopentylmethyl(methyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[cyclopentylmethyl(methyl)sulfamoyl]propanoic acid
PubChem CID63631065
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name3-[cyclopentylmethyl(methyl)sulfamoyl]propanoic acid
SMILESCN(CC1CCCC1)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H19NO4S/c1-11(8-9-4-2-3-5-9)16(14,15)7-6-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyFKACTOLNZZLVQJ-UHFFFAOYSA-N
XLogP0.91
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclobutylmethyl(methyl)sulfamoyl]butanoic acid
CID 62862361
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]propanoic acid
CID 63275597
N-(cyclopentylmethyl)-N-methylpropane-1-sulfonamide
CID 62068860
4-amino-N-(cyclopentylmethyl)-N-methylbutane-1-sulfonamide
CID 63630732
N-(cyclobutylmethyl)-N-methyl-2-(methylamino)ethanesulfonamide
CID 62854210
4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid
CID 63632290
3-[2-hydroxyethyl(methyl)sulfamoyl]propanoic acid
CID 60950996
4-[cyclohexylmethyl(methyl)amino]-4-oxobutanoic acid
CID 60949608
N-(cyclohexylmethyl)-N-methylmethanesulfonamide
CID 60728833
2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 63656971
3-(cyclobutylmethylsulfonyl)propanoic acid
CID 65456899
3-[methyl(piperidin-4-yl)sulfamoyl]propanoic acid
CID 61403399

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentylmethyl(methyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[cyclopentylmethyl(methyl)sulfamoyl]propanoic acid (CID 63631065) is 3-[cyclopentylmethyl(methyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[cyclopentylmethyl(methyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[cyclopentylmethyl(methyl)sulfamoyl]propanoic acid is CN(CC1CCCC1)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[cyclopentylmethyl(methyl)sulfamoyl]propanoic acid?
The InChIKey is FKACTOLNZZLVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-11(8-9-4-2-3-5-9)16(14,15)7-6-10(12)13/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 3-[cyclopentylmethyl(methyl)sulfamoyl]propanoic acid?
3-[cyclopentylmethyl(methyl)sulfamoyl]propanoic acid has a molecular weight of 249.33 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentylmethyl(methyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 63631065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).