(7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1H-indol-2-yl)methanone

C17H20N2O2S — CID 131692260

IUPAC(7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1H-indol-2-yl)methanone
SMILESCCOC1CSC2(C1)CN(C(=O)c1cc3ccccc3[nH]1)C2
InChIInChI=1S/C17H20N2O2S/c1-2-21-13-8-17(22-9-13)10-19(11-17)16(20)15-7-12-5-3-4-6-14(12)18-15/h3-7,13,18H,2,8-11H2,1H3
InChIKeyHPDOVXUNLNBJPV-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.90
Rot. Bonds3

About (7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1H-indol-2-yl)methanone

(7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1H-indol-2-yl)methanone (PubChem CID 131692260) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is (7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1H-indol-2-yl)methanone
PubChem CID131692260
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name(7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1H-indol-2-yl)methanone
SMILESCCOC1CSC2(C1)CN(C(=O)c1cc3ccccc3[nH]1)C2
InChIInChI=1S/C17H20N2O2S/c1-2-21-13-8-17(22-9-13)10-19(11-17)16(20)15-7-12-5-3-4-6-14(12)18-15/h3-7,13,18H,2,8-11H2,1H3
InChIKeyHPDOVXUNLNBJPV-UHFFFAOYSA-N
XLogP2.90
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1H-indol-2-yl)methanone?
The IUPAC name of (7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1H-indol-2-yl)methanone (CID 131692260) is (7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1H-indol-2-yl)methanone.
What is the SMILES notation for (7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1H-indol-2-yl)methanone?
The canonical SMILES for (7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1H-indol-2-yl)methanone is CCOC1CSC2(C1)CN(C(=O)c1cc3ccccc3[nH]1)C2.
What is the InChIKey of (7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1H-indol-2-yl)methanone?
The InChIKey is HPDOVXUNLNBJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-2-21-13-8-17(22-9-13)10-19(11-17)16(20)15-7-12-5-3-4-6-14(12)18-15/h3-7,13,18H,2,8-11H2,1H3.
What are the key properties of (7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1H-indol-2-yl)methanone?
(7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1H-indol-2-yl)methanone has a molecular weight of 316.43 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1H-indol-2-yl)methanone is sourced from PubChem (CID 131692260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).