1-[(3-methoxy-1,2-thiazol-4-yl)sulfonyl]-3-methylpiperidine-3-carboxylic acid

C11H16N2O5S2 — CID 167881269

IUPAC1-[(3-methoxy-1,2-thiazol-4-yl)sulfonyl]-3-methylpiperidine-3-carboxylic acid
SMILESCOc1nscc1S(=O)(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C11H16N2O5S2/c1-11(10(14)15)4-3-5-13(7-11)20(16,17)8-6-19-12-9(8)18-2/h6H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyDANNFBNZIPAIAY-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.03
Rot. Bonds4

About 1-[(3-methoxy-1,2-thiazol-4-yl)sulfonyl]-3-methylpiperidine-3-carboxylic acid

1-[(3-methoxy-1,2-thiazol-4-yl)sulfonyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 167881269) has the molecular formula C11H16N2O5S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[(3-methoxy-1,2-thiazol-4-yl)sulfonyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methoxy-1,2-thiazol-4-yl)sulfonyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID167881269
Molecular FormulaC11H16N2O5S2
Molecular Weight320.39 g/mol
Exact Mass320.05
IUPAC Name1-[(3-methoxy-1,2-thiazol-4-yl)sulfonyl]-3-methylpiperidine-3-carboxylic acid
SMILESCOc1nscc1S(=O)(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C11H16N2O5S2/c1-11(10(14)15)4-3-5-13(7-11)20(16,17)8-6-19-12-9(8)18-2/h6H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyDANNFBNZIPAIAY-UHFFFAOYSA-N
XLogP1.03
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63135547
1-(3-chloro-4-methoxyphenyl)sulfonyl-3-methylpiperidine-3-carboxylic acid
CID 136533171
3-methyl-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 63135546
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperidine-3-carboxylic acid
CID 103099706
1-(5-bromo-2-methoxyphenyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 63145982
1-(2-methoxyethylsulfonyl)-3-methylpiperidine-3-carboxylic acid
CID 63136135
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63145484
3-methyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63135913
1-(difluoromethylsulfonyl)-3-methylpiperidine-3-carboxylic acid
CID 63136084
(3S)-1-[4-(cyclohexylmethylsulfonyl)phenyl]sulfonyl-3-methylpiperidine-3-carboxylic acid
CID 130460929
1-(2,5-difluorophenyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 63146157
1-(5-ethoxycarbonyl-2-methoxyphenyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 120968996

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-1,2-thiazol-4-yl)sulfonyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-methoxy-1,2-thiazol-4-yl)sulfonyl]-3-methylpiperidine-3-carboxylic acid (CID 167881269) is 1-[(3-methoxy-1,2-thiazol-4-yl)sulfonyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-methoxy-1,2-thiazol-4-yl)sulfonyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-methoxy-1,2-thiazol-4-yl)sulfonyl]-3-methylpiperidine-3-carboxylic acid is COc1nscc1S(=O)(=O)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 1-[(3-methoxy-1,2-thiazol-4-yl)sulfonyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is DANNFBNZIPAIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S2/c1-11(10(14)15)4-3-5-13(7-11)20(16,17)8-6-19-12-9(8)18-2/h6H,3-5,7H2,1-2H3,(H,14,15).
What are the key properties of 1-[(3-methoxy-1,2-thiazol-4-yl)sulfonyl]-3-methylpiperidine-3-carboxylic acid?
1-[(3-methoxy-1,2-thiazol-4-yl)sulfonyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-1,2-thiazol-4-yl)sulfonyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 167881269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).