2-[ethyl(piperidin-4-yl)sulfamoyl]cyclopentane-1-carboxylic acid

C13H24N2O4S — CID 103342770

IUPAC2-[ethyl(piperidin-4-yl)sulfamoyl]cyclopentane-1-carboxylic acid
SMILESCCN(C1CCNCC1)S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C13H24N2O4S/c1-2-15(10-6-8-14-9-7-10)20(18,19)12-5-3-4-11(12)13(16)17/h10-12,14H,2-9H2,1H3,(H,16,17)
InChIKeyCVLYDVYAOROLNK-UHFFFAOYSA-N
MW304.41 g/mol
LogP0.64
Rot. Bonds5

About 2-[ethyl(piperidin-4-yl)sulfamoyl]cyclopentane-1-carboxylic acid

2-[ethyl(piperidin-4-yl)sulfamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103342770) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-[ethyl(piperidin-4-yl)sulfamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(piperidin-4-yl)sulfamoyl]cyclopentane-1-carboxylic acid
PubChem CID103342770
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name2-[ethyl(piperidin-4-yl)sulfamoyl]cyclopentane-1-carboxylic acid
SMILESCCN(C1CCNCC1)S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C13H24N2O4S/c1-2-15(10-6-8-14-9-7-10)20(18,19)12-5-3-4-11(12)13(16)17/h10-12,14H,2-9H2,1H3,(H,16,17)
InChIKeyCVLYDVYAOROLNK-UHFFFAOYSA-N
XLogP0.64
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Piperidine;2-sulfamoylhexanoic acid
CID 67253516
(2S)-2-amino-3-(1-methylsulfonylpiperidin-4-yl)propanoic acid
CID 169024959
2-Amino-3-(1-methylsulfonylpiperidin-4-yl)propanoic acid
CID 169763719
2-[3-[(Propan-2-ylamino)methyl]piperidin-1-yl]sulfonylpropanoic acid
CID 55175625
4-[4-(1-Aminoethyl)piperidin-1-yl]sulfonylbutanoic acid
CID 55215911
4-(2-Piperidin-3-ylethylsulfamoyl)butanoic acid
CID 55249190
4-[3-(Methylaminomethyl)piperidin-1-yl]sulfonylbutanoic acid
CID 61404707
4-(3-Pyrrolidin-2-ylpiperidin-1-yl)sulfonylbutanoic acid
CID 61457419
2-(1-Piperidin-3-ylethylsulfamoyl)acetic acid
CID 62046902
3-(1-Piperidin-3-ylethylsulfamoyl)propanoic acid
CID 62046904
4-(1-Piperidin-3-ylethylsulfamoyl)butanoic acid
CID 62047077
2-(1-Piperidin-3-ylethylsulfamoyl)propanoic acid
CID 62047248

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(piperidin-4-yl)sulfamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[ethyl(piperidin-4-yl)sulfamoyl]cyclopentane-1-carboxylic acid (CID 103342770) is 2-[ethyl(piperidin-4-yl)sulfamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[ethyl(piperidin-4-yl)sulfamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[ethyl(piperidin-4-yl)sulfamoyl]cyclopentane-1-carboxylic acid is CCN(C1CCNCC1)S(=O)(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[ethyl(piperidin-4-yl)sulfamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is CVLYDVYAOROLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-2-15(10-6-8-14-9-7-10)20(18,19)12-5-3-4-11(12)13(16)17/h10-12,14H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[ethyl(piperidin-4-yl)sulfamoyl]cyclopentane-1-carboxylic acid?
2-[ethyl(piperidin-4-yl)sulfamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 304.41 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(piperidin-4-yl)sulfamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103342770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).