(2S)-2-[(2S,4S)-2-ethyl-2-thiophen-2-yl-1,3-dioxolan-4-yl]piperidine

C14H21NO2S — CID 15749473

IUPAC(2S)-2-[(2S,4S)-2-ethyl-2-thiophen-2-yl-1,3-dioxolan-4-yl]piperidine
SMILESCC[C@]1(c2cccs2)OC[C@H]([C@@H]2CCCCN2)O1
InChIInChI=1S/C14H21NO2S/c1-2-14(13-7-5-9-18-13)16-10-12(17-14)11-6-3-4-8-15-11/h5,7,9,11-12,15H,2-4,6,8,10H2,1H3/t11-,12+,14-/m0/s1
InChIKeyRHVIRIGFWFUOAT-SCRDCRAPSA-N
MW267.39 g/mol
LogP2.87
Rot. Bonds3

About (2S)-2-[(2S,4S)-2-ethyl-2-thiophen-2-yl-1,3-dioxolan-4-yl]piperidine

(2S)-2-[(2S,4S)-2-ethyl-2-thiophen-2-yl-1,3-dioxolan-4-yl]piperidine (PubChem CID 15749473) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is (2S)-2-[(2S,4S)-2-ethyl-2-thiophen-2-yl-1,3-dioxolan-4-yl]piperidine.

Molecular Properties

Compound Name(2S)-2-[(2S,4S)-2-ethyl-2-thiophen-2-yl-1,3-dioxolan-4-yl]piperidine
PubChem CID15749473
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name(2S)-2-[(2S,4S)-2-ethyl-2-thiophen-2-yl-1,3-dioxolan-4-yl]piperidine
SMILESCC[C@]1(c2cccs2)OC[C@H]([C@@H]2CCCCN2)O1
InChIInChI=1S/C14H21NO2S/c1-2-14(13-7-5-9-18-13)16-10-12(17-14)11-6-3-4-8-15-11/h5,7,9,11-12,15H,2-4,6,8,10H2,1H3/t11-,12+,14-/m0/s1
InChIKeyRHVIRIGFWFUOAT-SCRDCRAPSA-N
XLogP2.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S,4S)-2-ethyl-2-thiophen-2-yl-1,3-dioxolan-4-yl]piperidine?
The IUPAC name of (2S)-2-[(2S,4S)-2-ethyl-2-thiophen-2-yl-1,3-dioxolan-4-yl]piperidine (CID 15749473) is (2S)-2-[(2S,4S)-2-ethyl-2-thiophen-2-yl-1,3-dioxolan-4-yl]piperidine.
What is the SMILES notation for (2S)-2-[(2S,4S)-2-ethyl-2-thiophen-2-yl-1,3-dioxolan-4-yl]piperidine?
The canonical SMILES for (2S)-2-[(2S,4S)-2-ethyl-2-thiophen-2-yl-1,3-dioxolan-4-yl]piperidine is CC[C@]1(c2cccs2)OC[C@H]([C@@H]2CCCCN2)O1.
What is the InChIKey of (2S)-2-[(2S,4S)-2-ethyl-2-thiophen-2-yl-1,3-dioxolan-4-yl]piperidine?
The InChIKey is RHVIRIGFWFUOAT-SCRDCRAPSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-2-14(13-7-5-9-18-13)16-10-12(17-14)11-6-3-4-8-15-11/h5,7,9,11-12,15H,2-4,6,8,10H2,1H3/t11-,12+,14-/m0/s1.
What are the key properties of (2S)-2-[(2S,4S)-2-ethyl-2-thiophen-2-yl-1,3-dioxolan-4-yl]piperidine?
(2S)-2-[(2S,4S)-2-ethyl-2-thiophen-2-yl-1,3-dioxolan-4-yl]piperidine has a molecular weight of 267.39 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S,4S)-2-ethyl-2-thiophen-2-yl-1,3-dioxolan-4-yl]piperidine is sourced from PubChem (CID 15749473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).