(3S,4S)-3-hydroxy-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid

C13H15N3O3S — CID 135113953

IUPAC(3S,4S)-3-hydroxy-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCc1cc2c(N3CC[C@H](C(=O)O)[C@H](O)C3)ncnc2s1
InChIInChI=1S/C13H15N3O3S/c1-7-4-9-11(14-6-15-12(9)20-7)16-3-2-8(13(18)19)10(17)5-16/h4,6,8,10,17H,2-3,5H2,1H3,(H,18,19)/t8-,10+/m0/s1
InChIKeyBCLRJQMXTJISJO-WCBMZHEXSA-N
MW293.35 g/mol
LogP1.27
Rot. Bonds2

About (3S,4S)-3-hydroxy-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid

(3S,4S)-3-hydroxy-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 135113953) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is (3S,4S)-3-hydroxy-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-3-hydroxy-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID135113953
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name(3S,4S)-3-hydroxy-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCc1cc2c(N3CC[C@H](C(=O)O)[C@H](O)C3)ncnc2s1
InChIInChI=1S/C13H15N3O3S/c1-7-4-9-11(14-6-15-12(9)20-7)16-3-2-8(13(18)19)10(17)5-16/h4,6,8,10,17H,2-3,5H2,1H3,(H,18,19)/t8-,10+/m0/s1
InChIKeyBCLRJQMXTJISJO-WCBMZHEXSA-N
XLogP1.27
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propanoic acid
CID 63618059
4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxylic acid
CID 63617713
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 63616717
4-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422311
4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-6-methylthieno[2,3-d]pyrimidine
CID 115314651
3-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 107070440
4-[4-(chloromethyl)piperidin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 63618427
(3S,6R)-6-(dimethylamino)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)azepane-3-carboxylic acid
CID 169417344
4-(3-ethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 133409285
N-[[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]propan-1-amine
CID 63618240
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide
CID 133408219
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-hydroxy-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of (3S,4S)-3-hydroxy-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid (CID 135113953) is (3S,4S)-3-hydroxy-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for (3S,4S)-3-hydroxy-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for (3S,4S)-3-hydroxy-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid is Cc1cc2c(N3CC[C@H](C(=O)O)[C@H](O)C3)ncnc2s1.
What is the InChIKey of (3S,4S)-3-hydroxy-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is BCLRJQMXTJISJO-WCBMZHEXSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-7-4-9-11(14-6-15-12(9)20-7)16-3-2-8(13(18)19)10(17)5-16/h4,6,8,10,17H,2-3,5H2,1H3,(H,18,19)/t8-,10+/m0/s1.
What are the key properties of (3S,4S)-3-hydroxy-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid?
(3S,4S)-3-hydroxy-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 293.35 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-hydroxy-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 135113953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).