cis-(1R,2S)-2-[(3S)-3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid

C15H24N2O5S — CID 125120065

IUPACcis-(1R,2S)-2-[(3S)-3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1
InChIInChI=1S/C15H24N2O5S/c18-14(12-8-13(12)15(19)20)17-7-3-6-11(9-17)23(21,22)16-10-4-1-2-5-10/h10-13,16H,1-9H2,(H,19,20)/t11-,12-,13+/m0/s1
InChIKeyFJYPKBDWEKHLGK-RWMBFGLXSA-N
MW344.43 g/mol
LogP0.56
Rot. Bonds5

About cis-(1R,2S)-2-[(3S)-3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid

cis-(1R,2S)-2-[(3S)-3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 125120065) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(3S)-3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(3S)-3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID125120065
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Namecis-(1R,2S)-2-[(3S)-3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1
InChIInChI=1S/C15H24N2O5S/c18-14(12-8-13(12)15(19)20)17-7-3-6-11(9-17)23(21,22)16-10-4-1-2-5-10/h10-13,16H,1-9H2,(H,19,20)/t11-,12-,13+/m0/s1
InChIKeyFJYPKBDWEKHLGK-RWMBFGLXSA-N
XLogP0.56
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(cyclopentylsulfamoyl)piperidin-1-yl]-4-oxobutanoic acid
CID 120551607
(3S)-N-cyclopentyl-1-(2-methylpropanoyl)piperidine-3-sulfonamide
CID 97348594
(3R)-N-cyclopentyl-1-(2,2-dimethylpropanoyl)piperidine-3-sulfonamide
CID 97348527
trans-(1S,2S)-2-[(3R)-3-acetamidopiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93378578
(3R)-N-cyclopentyl-1-(morpholine-4-carbonyl)piperidine-3-sulfonamide
CID 97348314
(3S)-N-cyclopentyl-1-[1-(2-methylpropyl)piperidine-4-carbonyl]piperidine-3-sulfonamide
CID 97348596
(3S)-3-(cyclopentylsulfamoyl)-N-[2-(dimethylamino)pyrimidin-5-yl]piperidine-1-carboxamide
CID 97348384
(3R)-1-(cyclopentanecarbonyl)-N-(1-propylpiperidin-4-yl)piperidine-3-sulfonamide
CID 97348332
cis-(1S,2R)-2-[4-(methanesulfonamido)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93377338
N-cyclopentyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-sulfonamide
CID 75476178
(3S)-N-cyclopentyl-1-(pyridine-2-carbonyl)piperidine-3-sulfonamide
CID 97348588
cis-(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311514

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(3S)-3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[(3S)-3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid (CID 125120065) is cis-(1R,2S)-2-[(3S)-3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[(3S)-3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[(3S)-3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1.
What is the InChIKey of cis-(1R,2S)-2-[(3S)-3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is FJYPKBDWEKHLGK-RWMBFGLXSA-N. The full InChI is InChI=1S/C15H24N2O5S/c18-14(12-8-13(12)15(19)20)17-7-3-6-11(9-17)23(21,22)16-10-4-1-2-5-10/h10-13,16H,1-9H2,(H,19,20)/t11-,12-,13+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(3S)-3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-[(3S)-3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 344.43 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(3S)-3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 125120065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).