2-(2-chlorospiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethanol;ethane

C15H24ClNO2S — CID 169140229

IUPAC2-(2-chlorospiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethanol;ethane
SMILESCC.OCCN1CCC2(CC1)OCCc1sc(Cl)cc12
InChIInChI=1S/C13H18ClNO2S.C2H6/c14-12-9-10-11(18-12)1-8-17-13(10)2-4-15(5-3-13)6-7-16;1-2/h9,16H,1-8H2;1-2H3
InChIKeySJKJGBUIOUFFLV-UHFFFAOYSA-N
MW317.88 g/mol
LogP3.28
Rot. Bonds2

About 2-(2-chlorospiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethanol;ethane

2-(2-chlorospiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethanol;ethane (PubChem CID 169140229) has the molecular formula C15H24ClNO2S and a molecular weight of 317.88 g/mol. Its IUPAC name is 2-(2-chlorospiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethanol;ethane.

Molecular Properties

Compound Name2-(2-chlorospiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethanol;ethane
PubChem CID169140229
Molecular FormulaC15H24ClNO2S
Molecular Weight317.88 g/mol
Exact Mass317.12
IUPAC Name2-(2-chlorospiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethanol;ethane
SMILESCC.OCCN1CCC2(CC1)OCCc1sc(Cl)cc12
InChIInChI=1S/C13H18ClNO2S.C2H6/c14-12-9-10-11(18-12)1-8-17-13(10)2-4-15(5-3-13)6-7-16;1-2/h9,16H,1-8H2;1-2H3
InChIKeySJKJGBUIOUFFLV-UHFFFAOYSA-N
XLogP3.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.88
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,3R)-3-hydroxycyclohexyl]-1'-(2-hydroxyethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide
CID 170512571
N-(2-hydroxyethyl)-1'-(2-imidazol-1-ylethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide
CID 170505442
2-ethyl-1'-[(1-methyltriazol-4-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169140671
methyl 2-[(1'-but-3-enylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carbonyl)amino]acetate
CID 170511171
2-ethyl-1'-(1,3-thiazol-5-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169139169
1'-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide
CID 170503696
2-ethyl-1'-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169140605
3-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-2-hydrazinylidene-N-pentan-3-ylpropan-1-imine
CID 174102923
1'-[(6-bromo-3-pyridinyl)methyl]-2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169139849
(2'S,4S,6'S)-2-chloro-2'-methyl-6'-(1-methyltriazol-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 164725841
2-[4-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]triazol-1-yl]-N-(2-hydroxyethyl)propanamide
CID 169140678
2-chloro-1'-(1H-pyrazol-4-ylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 58268631

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorospiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethanol;ethane?
The IUPAC name of 2-(2-chlorospiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethanol;ethane (CID 169140229) is 2-(2-chlorospiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethanol;ethane.
What is the SMILES notation for 2-(2-chlorospiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethanol;ethane?
The canonical SMILES for 2-(2-chlorospiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethanol;ethane is CC.OCCN1CCC2(CC1)OCCc1sc(Cl)cc12.
What is the InChIKey of 2-(2-chlorospiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethanol;ethane?
The InChIKey is SJKJGBUIOUFFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S.C2H6/c14-12-9-10-11(18-12)1-8-17-13(10)2-4-15(5-3-13)6-7-16;1-2/h9,16H,1-8H2;1-2H3.
What are the key properties of 2-(2-chlorospiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethanol;ethane?
2-(2-chlorospiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethanol;ethane has a molecular weight of 317.88 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorospiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethanol;ethane is sourced from PubChem (CID 169140229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).