(1'-cyclopentyl-2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl) 2-thiomorpholin-4-ylacetate

C21H32N2O3S — CID 170264819

IUPAC(1'-cyclopentyl-2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl) 2-thiomorpholin-4-ylacetate
SMILESO=C(CN1CCSCC1)OC1CC2CC1CC21CCN(C2CCCC2)C1=O
InChIInChI=1S/C21H32N2O3S/c24-19(14-22-7-9-27-10-8-22)26-18-12-16-11-15(18)13-21(16)5-6-23(20(21)25)17-3-1-2-4-17/h15-18H,1-14H2
InChIKeyMEUWOYFVRVRJFF-UHFFFAOYSA-N
MW392.57 g/mol
LogP2.54
Rot. Bonds4

About (1'-cyclopentyl-2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl) 2-thiomorpholin-4-ylacetate

(1'-cyclopentyl-2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl) 2-thiomorpholin-4-ylacetate (PubChem CID 170264819) has the molecular formula C21H32N2O3S and a molecular weight of 392.57 g/mol. Its IUPAC name is (1'-cyclopentyl-2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl) 2-thiomorpholin-4-ylacetate.

Molecular Properties

Compound Name(1'-cyclopentyl-2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl) 2-thiomorpholin-4-ylacetate
PubChem CID170264819
Molecular FormulaC21H32N2O3S
Molecular Weight392.57 g/mol
Exact Mass392.21
IUPAC Name(1'-cyclopentyl-2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl) 2-thiomorpholin-4-ylacetate
SMILESO=C(CN1CCSCC1)OC1CC2CC1CC21CCN(C2CCCC2)C1=O
InChIInChI=1S/C21H32N2O3S/c24-19(14-22-7-9-27-10-8-22)26-18-12-16-11-15(18)13-21(16)5-6-23(20(21)25)17-3-1-2-4-17/h15-18H,1-14H2
InChIKeyMEUWOYFVRVRJFF-UHFFFAOYSA-N
XLogP2.54
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1'-cyclopentyl-2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl) 2-thiomorpholin-4-ylacetate?
The IUPAC name of (1'-cyclopentyl-2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl) 2-thiomorpholin-4-ylacetate (CID 170264819) is (1'-cyclopentyl-2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl) 2-thiomorpholin-4-ylacetate.
What is the SMILES notation for (1'-cyclopentyl-2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl) 2-thiomorpholin-4-ylacetate?
The canonical SMILES for (1'-cyclopentyl-2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl) 2-thiomorpholin-4-ylacetate is O=C(CN1CCSCC1)OC1CC2CC1CC21CCN(C2CCCC2)C1=O.
What is the InChIKey of (1'-cyclopentyl-2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl) 2-thiomorpholin-4-ylacetate?
The InChIKey is MEUWOYFVRVRJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3S/c24-19(14-22-7-9-27-10-8-22)26-18-12-16-11-15(18)13-21(16)5-6-23(20(21)25)17-3-1-2-4-17/h15-18H,1-14H2.
What are the key properties of (1'-cyclopentyl-2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl) 2-thiomorpholin-4-ylacetate?
(1'-cyclopentyl-2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl) 2-thiomorpholin-4-ylacetate has a molecular weight of 392.57 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1'-cyclopentyl-2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl) 2-thiomorpholin-4-ylacetate is sourced from PubChem (CID 170264819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).