azane;(3S)-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid

C12H18N2O3S — CID 70030089

IUPACazane;(3S)-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid
SMILESN.O=C(O)[C@H]1CCCN(C(=O)Cc2cccs2)C1
InChIInChI=1S/C12H15NO3S.H3N/c14-11(7-10-4-2-6-17-10)13-5-1-3-9(8-13)12(15)16;/h2,4,6,9H,1,3,5,7-8H2,(H,15,16);1H3/t9-;/m0./s1
InChIKeyNIYNQCVVEYDHST-FVGYRXGTSA-N
MW270.35 g/mol
LogP1.78
Rot. Bonds3

About azane;(3S)-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid

azane;(3S)-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid (PubChem CID 70030089) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is azane;(3S)-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Nameazane;(3S)-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid
PubChem CID70030089
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nameazane;(3S)-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid
SMILESN.O=C(O)[C@H]1CCCN(C(=O)Cc2cccs2)C1
InChIInChI=1S/C12H15NO3S.H3N/c14-11(7-10-4-2-6-17-10)13-5-1-3-9(8-13)12(15)16;/h2,4,6,9H,1,3,5,7-8H2,(H,15,16);1H3/t9-;/m0./s1
InChIKeyNIYNQCVVEYDHST-FVGYRXGTSA-N
XLogP1.78
TPSA92.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;(3S)-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid?
The IUPAC name of azane;(3S)-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid (CID 70030089) is azane;(3S)-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid.
What is the SMILES notation for azane;(3S)-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid?
The canonical SMILES for azane;(3S)-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid is N.O=C(O)[C@H]1CCCN(C(=O)Cc2cccs2)C1.
What is the InChIKey of azane;(3S)-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid?
The InChIKey is NIYNQCVVEYDHST-FVGYRXGTSA-N. The full InChI is InChI=1S/C12H15NO3S.H3N/c14-11(7-10-4-2-6-17-10)13-5-1-3-9(8-13)12(15)16;/h2,4,6,9H,1,3,5,7-8H2,(H,15,16);1H3/t9-;/m0./s1.
What are the key properties of azane;(3S)-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid?
azane;(3S)-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid has a molecular weight of 270.35 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(3S)-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 70030089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).