1-piperidin-1-ylsulfonylcyclopentane-1-carboxylic acid

C11H19NO4S — CID 115048845

IUPAC1-piperidin-1-ylsulfonylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(S(=O)(=O)N2CCCCC2)CCCC1
InChIInChI=1S/C11H19NO4S/c13-10(14)11(6-2-3-7-11)17(15,16)12-8-4-1-5-9-12/h1-9H2,(H,13,14)
InChIKeyBCJFOJSKHDRYQT-UHFFFAOYSA-N
MW261.34 g/mol
LogP1.20
Rot. Bonds3

About 1-piperidin-1-ylsulfonylcyclopentane-1-carboxylic acid

1-piperidin-1-ylsulfonylcyclopentane-1-carboxylic acid (PubChem CID 115048845) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-piperidin-1-ylsulfonylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-piperidin-1-ylsulfonylcyclopentane-1-carboxylic acid
PubChem CID115048845
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name1-piperidin-1-ylsulfonylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(S(=O)(=O)N2CCCCC2)CCCC1
InChIInChI=1S/C11H19NO4S/c13-10(14)11(6-2-3-7-11)17(15,16)12-8-4-1-5-9-12/h1-9H2,(H,13,14)
InChIKeyBCJFOJSKHDRYQT-UHFFFAOYSA-N
XLogP1.20
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-piperidin-1-ylsulfonylcyclopentyl)ethanone
CID 115048528
1-piperazin-1-ylsulfonylcyclopropane-1-carboxylic acid
CID 115040119
1-(azepan-1-ylsulfonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595620
1-(piperidin-1-ylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81164218
methyl 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylate
CID 146441803
1-piperidin-1-ylsulfonylcyclopentane-1-carbaldehyde
CID 115045621
1-pyrrolidin-1-ylsulfonylcyclohexane-1-carbaldehyde
CID 115045620
1-propan-2-ylsulfonylcyclohexane-1-carboxylic acid
CID 115040278
1-[(piperidin-1-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309107
4-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxylic acid
CID 63123862
1-[(azepan-1-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid
CID 113312118
3-amino-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid
CID 107323968

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylsulfonylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-piperidin-1-ylsulfonylcyclopentane-1-carboxylic acid (CID 115048845) is 1-piperidin-1-ylsulfonylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-piperidin-1-ylsulfonylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-piperidin-1-ylsulfonylcyclopentane-1-carboxylic acid is O=C(O)C1(S(=O)(=O)N2CCCCC2)CCCC1.
What is the InChIKey of 1-piperidin-1-ylsulfonylcyclopentane-1-carboxylic acid?
The InChIKey is BCJFOJSKHDRYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c13-10(14)11(6-2-3-7-11)17(15,16)12-8-4-1-5-9-12/h1-9H2,(H,13,14).
What are the key properties of 1-piperidin-1-ylsulfonylcyclopentane-1-carboxylic acid?
1-piperidin-1-ylsulfonylcyclopentane-1-carboxylic acid has a molecular weight of 261.34 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylsulfonylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 115048845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).