6-(4H-thieno[3,2-b]pyrrol-6-yl)piperidine-2-carboxylic acid

C12H14N2O2S — CID 82382749

IUPAC6-(4H-thieno[3,2-b]pyrrol-6-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCC(c2c[nH]c3ccsc23)N1
InChIInChI=1S/C12H14N2O2S/c15-12(16)10-3-1-2-8(14-10)7-6-13-9-4-5-17-11(7)9/h4-6,8,10,13-14H,1-3H2,(H,15,16)
InChIKeyDLGBOLMQZXBACH-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.50
Rot. Bonds2

About 6-(4H-thieno[3,2-b]pyrrol-6-yl)piperidine-2-carboxylic acid

6-(4H-thieno[3,2-b]pyrrol-6-yl)piperidine-2-carboxylic acid (PubChem CID 82382749) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 6-(4H-thieno[3,2-b]pyrrol-6-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4H-thieno[3,2-b]pyrrol-6-yl)piperidine-2-carboxylic acid
PubChem CID82382749
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name6-(4H-thieno[3,2-b]pyrrol-6-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCC(c2c[nH]c3ccsc23)N1
InChIInChI=1S/C12H14N2O2S/c15-12(16)10-3-1-2-8(14-10)7-6-13-9-4-5-17-11(7)9/h4-6,8,10,13-14H,1-3H2,(H,15,16)
InChIKeyDLGBOLMQZXBACH-UHFFFAOYSA-N
XLogP2.50
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4H-thieno[3,2-b]pyrrol-6-yl)piperidine-2-carboxylic acid?
The IUPAC name of 6-(4H-thieno[3,2-b]pyrrol-6-yl)piperidine-2-carboxylic acid (CID 82382749) is 6-(4H-thieno[3,2-b]pyrrol-6-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 6-(4H-thieno[3,2-b]pyrrol-6-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 6-(4H-thieno[3,2-b]pyrrol-6-yl)piperidine-2-carboxylic acid is O=C(O)C1CCCC(c2c[nH]c3ccsc23)N1.
What is the InChIKey of 6-(4H-thieno[3,2-b]pyrrol-6-yl)piperidine-2-carboxylic acid?
The InChIKey is DLGBOLMQZXBACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c15-12(16)10-3-1-2-8(14-10)7-6-13-9-4-5-17-11(7)9/h4-6,8,10,13-14H,1-3H2,(H,15,16).
What are the key properties of 6-(4H-thieno[3,2-b]pyrrol-6-yl)piperidine-2-carboxylic acid?
6-(4H-thieno[3,2-b]pyrrol-6-yl)piperidine-2-carboxylic acid has a molecular weight of 250.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4H-thieno[3,2-b]pyrrol-6-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 82382749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).