1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid

C10H14N2O4S2 — CID 103862581

IUPAC1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid
SMILESCc1ncc(S(=O)(=O)N2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C10H14N2O4S2/c1-7-11-6-9(17-7)18(15,16)12-4-2-8(3-5-12)10(13)14/h6,8H,2-5H2,1H3,(H,13,14)
InChIKeyIYSHHBWANBRVNA-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.94
Rot. Bonds3

About 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid

1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid (PubChem CID 103862581) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid
PubChem CID103862581
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Name1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid
SMILESCc1ncc(S(=O)(=O)N2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C10H14N2O4S2/c1-7-11-6-9(17-7)18(15,16)12-4-2-8(3-5-12)10(13)14/h6,8H,2-5H2,1H3,(H,13,14)
InChIKeyIYSHHBWANBRVNA-UHFFFAOYSA-N
XLogP0.94
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylic acid
CID 104937088
5-(3-chloropyrrolidin-1-yl)sulfonyl-2-methyl-1,3-thiazole
CID 103415890
(3R,4S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3,4-diol
CID 104600170
3-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]propanoic acid
CID 104937156
1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
CID 103847906
N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]ethanamine
CID 103413657
methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate
CID 103847980
5-(4-bromo-3-methylpiperidin-1-yl)sulfonyl-2-methyl-1,3-thiazole
CID 103416177
ethyl 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylate
CID 103815305
(3aS,6aR)-2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120679506
1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982941
8-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 103847919

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid (CID 103862581) is 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid is Cc1ncc(S(=O)(=O)N2CCC(C(=O)O)CC2)s1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid?
The InChIKey is IYSHHBWANBRVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c1-7-11-6-9(17-7)18(15,16)12-4-2-8(3-5-12)10(13)14/h6,8H,2-5H2,1H3,(H,13,14).
What are the key properties of 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid?
1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid has a molecular weight of 290.37 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 103862581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).