(2'S,6'R)-2-chloro-2',6'-dicyclopropylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C17H22ClNOS — CID 163838810

IUPAC(2'S,6'R)-2-chloro-2',6'-dicyclopropylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESClc1cc2c(s1)C1(C[C@@H](C3CC3)N[C@@H](C3CC3)C1)OCC2
InChIInChI=1S/C17H22ClNOS/c18-15-7-12-5-6-20-17(16(12)21-15)8-13(10-1-2-10)19-14(9-17)11-3-4-11/h7,10-11,13-14,19H,1-6,8-9H2/t13-,14+,17?
InChIKeyOKCNXRYPAKPCOB-VMZNBEPHSA-N
MW323.89 g/mol
LogP4.11
Rot. Bonds2

About (2'S,6'R)-2-chloro-2',6'-dicyclopropylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

(2'S,6'R)-2-chloro-2',6'-dicyclopropylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 163838810) has the molecular formula C17H22ClNOS and a molecular weight of 323.89 g/mol. Its IUPAC name is (2'S,6'R)-2-chloro-2',6'-dicyclopropylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name(2'S,6'R)-2-chloro-2',6'-dicyclopropylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID163838810
Molecular FormulaC17H22ClNOS
Molecular Weight323.89 g/mol
Exact Mass323.11
IUPAC Name(2'S,6'R)-2-chloro-2',6'-dicyclopropylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESClc1cc2c(s1)C1(C[C@@H](C3CC3)N[C@@H](C3CC3)C1)OCC2
InChIInChI=1S/C17H22ClNOS/c18-15-7-12-5-6-20-17(16(12)21-15)8-13(10-1-2-10)19-14(9-17)11-3-4-11/h7,10-11,13-14,19H,1-6,8-9H2/t13-,14+,17?
InChIKeyOKCNXRYPAKPCOB-VMZNBEPHSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.89
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2'S,6'R)-2-chloro-2',6'-dicyclopropylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of (2'S,6'R)-2-chloro-2',6'-dicyclopropylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 163838810) is (2'S,6'R)-2-chloro-2',6'-dicyclopropylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for (2'S,6'R)-2-chloro-2',6'-dicyclopropylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for (2'S,6'R)-2-chloro-2',6'-dicyclopropylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is Clc1cc2c(s1)C1(C[C@@H](C3CC3)N[C@@H](C3CC3)C1)OCC2.
What is the InChIKey of (2'S,6'R)-2-chloro-2',6'-dicyclopropylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is OKCNXRYPAKPCOB-VMZNBEPHSA-N. The full InChI is InChI=1S/C17H22ClNOS/c18-15-7-12-5-6-20-17(16(12)21-15)8-13(10-1-2-10)19-14(9-17)11-3-4-11/h7,10-11,13-14,19H,1-6,8-9H2/t13-,14+,17?.
What are the key properties of (2'S,6'R)-2-chloro-2',6'-dicyclopropylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
(2'S,6'R)-2-chloro-2',6'-dicyclopropylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 323.89 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,6'R)-2-chloro-2',6'-dicyclopropylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 163838810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).