(3S)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-3-carboxylic acid

C12H13N3O2S — CID 51885994

IUPAC(3S)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(c2ncnc3ccsc23)C1
InChIInChI=1S/C12H13N3O2S/c16-12(17)8-2-1-4-15(6-8)11-10-9(3-5-18-10)13-7-14-11/h3,5,7-8H,1-2,4,6H2,(H,16,17)/t8-/m0/s1
InChIKeyYVOCHNNSEBTHIZ-QMMMGPOBSA-N
MW263.32 g/mol
LogP1.99
Rot. Bonds2

About (3S)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-3-carboxylic acid

(3S)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-3-carboxylic acid (PubChem CID 51885994) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is (3S)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-3-carboxylic acid
PubChem CID51885994
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name(3S)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(c2ncnc3ccsc23)C1
InChIInChI=1S/C12H13N3O2S/c16-12(17)8-2-1-4-15(6-8)11-10-9(3-5-18-10)13-7-14-11/h3,5,7-8H,1-2,4,6H2,(H,16,17)/t8-/m0/s1
InChIKeyYVOCHNNSEBTHIZ-QMMMGPOBSA-N
XLogP1.99
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-3-carboxylic acid (CID 51885994) is (3S)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(c2ncnc3ccsc23)C1.
What is the InChIKey of (3S)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-3-carboxylic acid?
The InChIKey is YVOCHNNSEBTHIZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13N3O2S/c16-12(17)8-2-1-4-15(6-8)11-10-9(3-5-18-10)13-7-14-11/h3,5,7-8H,1-2,4,6H2,(H,16,17)/t8-/m0/s1.
What are the key properties of (3S)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-3-carboxylic acid?
(3S)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-3-carboxylic acid has a molecular weight of 263.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-3-carboxylic acid is sourced from PubChem (CID 51885994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).