(2S)-5-(5-chlorothiophen-3-yl)-1'-ethylspiro[3H-furo[2,3-b]pyridine-2,3'-piperidine]

C17H19ClN2OS — CID 142818483

IUPAC(2S)-5-(5-chlorothiophen-3-yl)-1'-ethylspiro[3H-furo[2,3-b]pyridine-2,3'-piperidine]
SMILESCCN1CCC[C@]2(Cc3cc(-c4csc(Cl)c4)cnc3O2)C1
InChIInChI=1S/C17H19ClN2OS/c1-2-20-5-3-4-17(11-20)8-12-6-13(9-19-16(12)21-17)14-7-15(18)22-10-14/h6-7,9-10H,2-5,8,11H2,1H3/t17-/m0/s1
InChIKeyMASZGPCDVDPHSF-KRWDZBQOSA-N
MW334.87 g/mol
LogP4.25
Rot. Bonds2

About (2S)-5-(5-chlorothiophen-3-yl)-1'-ethylspiro[3H-furo[2,3-b]pyridine-2,3'-piperidine]

(2S)-5-(5-chlorothiophen-3-yl)-1'-ethylspiro[3H-furo[2,3-b]pyridine-2,3'-piperidine] (PubChem CID 142818483) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is (2S)-5-(5-chlorothiophen-3-yl)-1'-ethylspiro[3H-furo[2,3-b]pyridine-2,3'-piperidine].

Molecular Properties

Compound Name(2S)-5-(5-chlorothiophen-3-yl)-1'-ethylspiro[3H-furo[2,3-b]pyridine-2,3'-piperidine]
PubChem CID142818483
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC Name(2S)-5-(5-chlorothiophen-3-yl)-1'-ethylspiro[3H-furo[2,3-b]pyridine-2,3'-piperidine]
SMILESCCN1CCC[C@]2(Cc3cc(-c4csc(Cl)c4)cnc3O2)C1
InChIInChI=1S/C17H19ClN2OS/c1-2-20-5-3-4-17(11-20)8-12-6-13(9-19-16(12)21-17)14-7-15(18)22-10-14/h6-7,9-10H,2-5,8,11H2,1H3/t17-/m0/s1
InChIKeyMASZGPCDVDPHSF-KRWDZBQOSA-N
XLogP4.25
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-5-(5-chlorothiophen-3-yl)-1'-ethylspiro[3H-furo[2,3-b]pyridine-2,3'-piperidine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-(5-chlorothiophen-3-yl)-1'-ethylspiro[3H-furo[2,3-b]pyridine-2,3'-piperidine]?
The IUPAC name of (2S)-5-(5-chlorothiophen-3-yl)-1'-ethylspiro[3H-furo[2,3-b]pyridine-2,3'-piperidine] (CID 142818483) is (2S)-5-(5-chlorothiophen-3-yl)-1'-ethylspiro[3H-furo[2,3-b]pyridine-2,3'-piperidine].
What is the SMILES notation for (2S)-5-(5-chlorothiophen-3-yl)-1'-ethylspiro[3H-furo[2,3-b]pyridine-2,3'-piperidine]?
The canonical SMILES for (2S)-5-(5-chlorothiophen-3-yl)-1'-ethylspiro[3H-furo[2,3-b]pyridine-2,3'-piperidine] is CCN1CCC[C@]2(Cc3cc(-c4csc(Cl)c4)cnc3O2)C1.
What is the InChIKey of (2S)-5-(5-chlorothiophen-3-yl)-1'-ethylspiro[3H-furo[2,3-b]pyridine-2,3'-piperidine]?
The InChIKey is MASZGPCDVDPHSF-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c1-2-20-5-3-4-17(11-20)8-12-6-13(9-19-16(12)21-17)14-7-15(18)22-10-14/h6-7,9-10H,2-5,8,11H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-5-(5-chlorothiophen-3-yl)-1'-ethylspiro[3H-furo[2,3-b]pyridine-2,3'-piperidine]?
(2S)-5-(5-chlorothiophen-3-yl)-1'-ethylspiro[3H-furo[2,3-b]pyridine-2,3'-piperidine] has a molecular weight of 334.87 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(5-chlorothiophen-3-yl)-1'-ethylspiro[3H-furo[2,3-b]pyridine-2,3'-piperidine] is sourced from PubChem (CID 142818483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).