2-[(2'S,4R)-2,2'-dimethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]cyclopentan-1-ol

C18H27NO2S — CID 170128414

IUPAC2-[(2'S,4R)-2,2'-dimethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]cyclopentan-1-ol
SMILESCc1cc2c(s1)CCO[C@@]21CCN(C2CCCC2O)[C@@H](C)C1
InChIInChI=1S/C18H27NO2S/c1-12-11-18(7-8-19(12)15-4-3-5-16(15)20)14-10-13(2)22-17(14)6-9-21-18/h10,12,15-16,20H,3-9,11H2,1-2H3/t12-,15?,16?,18+/m0/s1
InChIKeyOSZBEVDTPNPAQA-KVSNZIMCSA-N
MW321.49 g/mol
LogP3.22
Rot. Bonds1

About 2-[(2'S,4R)-2,2'-dimethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]cyclopentan-1-ol

2-[(2'S,4R)-2,2'-dimethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]cyclopentan-1-ol (PubChem CID 170128414) has the molecular formula C18H27NO2S and a molecular weight of 321.49 g/mol. Its IUPAC name is 2-[(2'S,4R)-2,2'-dimethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(2'S,4R)-2,2'-dimethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]cyclopentan-1-ol
PubChem CID170128414
Molecular FormulaC18H27NO2S
Molecular Weight321.49 g/mol
Exact Mass321.18
IUPAC Name2-[(2'S,4R)-2,2'-dimethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]cyclopentan-1-ol
SMILESCc1cc2c(s1)CCO[C@@]21CCN(C2CCCC2O)[C@@H](C)C1
InChIInChI=1S/C18H27NO2S/c1-12-11-18(7-8-19(12)15-4-3-5-16(15)20)14-10-13(2)22-17(14)6-9-21-18/h10,12,15-16,20H,3-9,11H2,1-2H3/t12-,15?,16?,18+/m0/s1
InChIKeyOSZBEVDTPNPAQA-KVSNZIMCSA-N
XLogP3.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]cyclopentan-1-ol
CID 170128756
(2'R)-2-ethyl-2'-methyl-1'-prop-2-ynylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169138702
tert-butyl (2'S)-2-iodo-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate
CID 169140154
1'-[(2S)-1-methylpyrrolidine-2-carbonyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid
CID 164694944
2-[(2'S)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-1-(4-fluorophenyl)ethanol
CID 169138911
2-(2-methylpyrrolidin-1-yl)cyclopentan-1-ol
CID 60974161
1-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]azetidin-1-yl]-2-methylsulfonylpropan-1-one
CID 169139971
3-[4-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]triazol-1-yl]cyclobutan-1-ol
CID 169140105
(5R)-5-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]azetidine-1-carbonyl]pyrrolidin-2-one
CID 169138961
[1'-(cyclopentylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl]-morpholin-4-ylmethanone
CID 170504531
1'-[(1-methylpiperidin-3-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid
CID 164691967
trans-(1S,2S)-2-(2-methylpiperidin-1-yl)cyclopentan-1-ol
CID 102734292

Frequently Asked Questions

What is the IUPAC name of 2-[(2'S,4R)-2,2'-dimethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]cyclopentan-1-ol?
The IUPAC name of 2-[(2'S,4R)-2,2'-dimethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]cyclopentan-1-ol (CID 170128414) is 2-[(2'S,4R)-2,2'-dimethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(2'S,4R)-2,2'-dimethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[(2'S,4R)-2,2'-dimethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]cyclopentan-1-ol is Cc1cc2c(s1)CCO[C@@]21CCN(C2CCCC2O)[C@@H](C)C1.
What is the InChIKey of 2-[(2'S,4R)-2,2'-dimethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]cyclopentan-1-ol?
The InChIKey is OSZBEVDTPNPAQA-KVSNZIMCSA-N. The full InChI is InChI=1S/C18H27NO2S/c1-12-11-18(7-8-19(12)15-4-3-5-16(15)20)14-10-13(2)22-17(14)6-9-21-18/h10,12,15-16,20H,3-9,11H2,1-2H3/t12-,15?,16?,18+/m0/s1.
What are the key properties of 2-[(2'S,4R)-2,2'-dimethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]cyclopentan-1-ol?
2-[(2'S,4R)-2,2'-dimethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]cyclopentan-1-ol has a molecular weight of 321.49 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2'S,4R)-2,2'-dimethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]cyclopentan-1-ol is sourced from PubChem (CID 170128414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).