(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1-methylindol-5-yl)methanone

C17H20N2O2S — CID 131692294

IUPAC(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1-methylindol-5-yl)methanone
SMILESCOC1CSC2(C1)CN(C(=O)c1ccc3c(ccn3C)c1)C2
InChIInChI=1S/C17H20N2O2S/c1-18-6-5-12-7-13(3-4-15(12)18)16(20)19-10-17(11-19)8-14(21-2)9-22-17/h3-7,14H,8-11H2,1-2H3
InChIKeyLICHDRTWTCUFBY-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.52
Rot. Bonds2

About (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1-methylindol-5-yl)methanone

(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1-methylindol-5-yl)methanone (PubChem CID 131692294) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1-methylindol-5-yl)methanone.

Molecular Properties

Compound Name(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1-methylindol-5-yl)methanone
PubChem CID131692294
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1-methylindol-5-yl)methanone
SMILESCOC1CSC2(C1)CN(C(=O)c1ccc3c(ccn3C)c1)C2
InChIInChI=1S/C17H20N2O2S/c1-18-6-5-12-7-13(3-4-15(12)18)16(20)19-10-17(11-19)8-14(21-2)9-22-17/h3-7,14H,8-11H2,1-2H3
InChIKeyLICHDRTWTCUFBY-UHFFFAOYSA-N
XLogP2.52
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1-methylindol-5-yl)methanone?
The IUPAC name of (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1-methylindol-5-yl)methanone (CID 131692294) is (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1-methylindol-5-yl)methanone.
What is the SMILES notation for (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1-methylindol-5-yl)methanone?
The canonical SMILES for (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1-methylindol-5-yl)methanone is COC1CSC2(C1)CN(C(=O)c1ccc3c(ccn3C)c1)C2.
What is the InChIKey of (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1-methylindol-5-yl)methanone?
The InChIKey is LICHDRTWTCUFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-18-6-5-12-7-13(3-4-15(12)18)16(20)19-10-17(11-19)8-14(21-2)9-22-17/h3-7,14H,8-11H2,1-2H3.
What are the key properties of (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1-methylindol-5-yl)methanone?
(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1-methylindol-5-yl)methanone has a molecular weight of 316.43 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1-methylindol-5-yl)methanone is sourced from PubChem (CID 131692294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).