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

C10H14N2O5S2 — CID 43132258

IUPAC1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C10H14N2O5S2/c1-6-9(18-10(15)11-6)19(16,17)12-4-2-3-7(5-12)8(13)14/h7H,2-5H2,1H3,(H,11,15)(H,13,14)
InChIKeyMHPOUHFVCRPEDL-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.23
Rot. Bonds3

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

1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylic acid (PubChem CID 43132258) has the molecular formula C10H14N2O5S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylic acid
PubChem CID43132258
Molecular FormulaC10H14N2O5S2
Molecular Weight306.37 g/mol
Exact Mass306.03
IUPAC Name1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C10H14N2O5S2/c1-6-9(18-10(15)11-6)19(16,17)12-4-2-3-7(5-12)8(13)14/h7H,2-5H2,1H3,(H,11,15)(H,13,14)
InChIKeyMHPOUHFVCRPEDL-UHFFFAOYSA-N
XLogP0.23
TPSA107.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxylic acid
CID 4290756
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-4-methyl-3H-1,3-thiazol-2-one
CID 113336018
2-methyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid
CID 106742427
4-methyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)sulfonyl]-3H-1,3-thiazol-2-one
CID 81199247
2-[1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]acetic acid
CID 64616229
4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
CID 113418411
4-methyl-5-(3-phenylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
CID 62131249
N-[2-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
CID 16616052
4-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
CID 103501139
4-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
CID 63175000
1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylic acid
CID 79988524
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 79001470

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylic acid (CID 43132258) is 1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylic acid is Cc1[nH]c(=O)sc1S(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylic acid?
The InChIKey is MHPOUHFVCRPEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S2/c1-6-9(18-10(15)11-6)19(16,17)12-4-2-3-7(5-12)8(13)14/h7H,2-5H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylic acid?
1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43132258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).