1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperidine-4-carboxylic acid

C11H14ClNO4S2 — CID 63123700

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C11H14ClNO4S2/c1-11(10(14)15)4-6-13(7-5-11)19(16,17)9-3-2-8(12)18-9/h2-3H,4-7H2,1H3,(H,14,15)
InChIKeyMOIPJULEXCOALT-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.28
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperidine-4-carboxylic acid

1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperidine-4-carboxylic acid (PubChem CID 63123700) has the molecular formula C11H14ClNO4S2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperidine-4-carboxylic acid
PubChem CID63123700
Molecular FormulaC11H14ClNO4S2
Molecular Weight323.82 g/mol
Exact Mass323.01
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C11H14ClNO4S2/c1-11(10(14)15)4-6-13(7-5-11)19(16,17)9-3-2-8(12)18-9/h2-3H,4-7H2,1H3,(H,14,15)
InChIKeyMOIPJULEXCOALT-UHFFFAOYSA-N
XLogP2.28
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 80577462
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
CID 63846418
1-tert-butyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine
CID 113074876
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19684944
1-(5-chlorothiophen-2-yl)sulfonyl-4-phenyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 41070987
1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 18078359
3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]propanoic acid
CID 62215968
1-(5-chlorothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779861
1-(3-chloro-2-methylphenyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 63149607
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110805258
1-(5-chlorothiophen-2-yl)sulfonyl-N-cycloheptyl-4-phenylpiperidine-4-carboxamide
CID 4963605

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperidine-4-carboxylic acid (CID 63123700) is 1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperidine-4-carboxylic acid?
The InChIKey is MOIPJULEXCOALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S2/c1-11(10(14)15)4-6-13(7-5-11)19(16,17)9-3-2-8(12)18-9/h2-3H,4-7H2,1H3,(H,14,15).
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperidine-4-carboxylic acid?
1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperidine-4-carboxylic acid has a molecular weight of 323.82 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63123700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).