(3-hydroxy-3-methylpyrrolidin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone

C11H13N5O2S — CID 103730581

IUPAC(3-hydroxy-3-methylpyrrolidin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
SMILESCC1(O)CCN(C(=O)c2sccc2-n2cnnn2)C1
InChIInChI=1S/C11H13N5O2S/c1-11(18)3-4-15(6-11)10(17)9-8(2-5-19-9)16-7-12-13-14-16/h2,5,7,18H,3-4,6H2,1H3
InChIKeyCGJQDFLHMCCSBH-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.32
Rot. Bonds2

About (3-hydroxy-3-methylpyrrolidin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone

(3-hydroxy-3-methylpyrrolidin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone (PubChem CID 103730581) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is (3-hydroxy-3-methylpyrrolidin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpyrrolidin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
PubChem CID103730581
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name(3-hydroxy-3-methylpyrrolidin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
SMILESCC1(O)CCN(C(=O)c2sccc2-n2cnnn2)C1
InChIInChI=1S/C11H13N5O2S/c1-11(18)3-4-15(6-11)10(17)9-8(2-5-19-9)16-7-12-13-14-16/h2,5,7,18H,3-4,6H2,1H3
InChIKeyCGJQDFLHMCCSBH-UHFFFAOYSA-N
XLogP0.32
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone?
The IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone (CID 103730581) is (3-hydroxy-3-methylpyrrolidin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylpyrrolidin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone?
The canonical SMILES for (3-hydroxy-3-methylpyrrolidin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone is CC1(O)CCN(C(=O)c2sccc2-n2cnnn2)C1.
What is the InChIKey of (3-hydroxy-3-methylpyrrolidin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone?
The InChIKey is CGJQDFLHMCCSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-11(18)3-4-15(6-11)10(17)9-8(2-5-19-9)16-7-12-13-14-16/h2,5,7,18H,3-4,6H2,1H3.
What are the key properties of (3-hydroxy-3-methylpyrrolidin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone?
(3-hydroxy-3-methylpyrrolidin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone has a molecular weight of 279.32 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpyrrolidin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone is sourced from PubChem (CID 103730581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).