1,4-dioxa-8-azaspiro[4.5]decan-8-yl(4H-thieno[3,2-c]chromen-2-yl)methanone

C19H19NO4S — CID 3241134

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl(4H-thieno[3,2-c]chromen-2-yl)methanone
SMILESO=C(c1cc2c(s1)-c1ccccc1OC2)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H19NO4S/c21-18(20-7-5-19(6-8-20)23-9-10-24-19)16-11-13-12-22-15-4-2-1-3-14(15)17(13)25-16/h1-4,11H,5-10,12H2
InChIKeyNZEOPECXSOYROA-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.29
Rot. Bonds1

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(4H-thieno[3,2-c]chromen-2-yl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl(4H-thieno[3,2-c]chromen-2-yl)methanone (PubChem CID 3241134) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(4H-thieno[3,2-c]chromen-2-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl(4H-thieno[3,2-c]chromen-2-yl)methanone
PubChem CID3241134
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl(4H-thieno[3,2-c]chromen-2-yl)methanone
SMILESO=C(c1cc2c(s1)-c1ccccc1OC2)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H19NO4S/c21-18(20-7-5-19(6-8-20)23-9-10-24-19)16-11-13-12-22-15-4-2-1-3-14(15)17(13)25-16/h1-4,11H,5-10,12H2
InChIKeyNZEOPECXSOYROA-UHFFFAOYSA-N
XLogP3.29
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(4H-thieno[3,2-c]chromen-2-yl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(4H-thieno[3,2-c]chromen-2-yl)methanone (CID 3241134) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(4H-thieno[3,2-c]chromen-2-yl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(4H-thieno[3,2-c]chromen-2-yl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(4H-thieno[3,2-c]chromen-2-yl)methanone is O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(4H-thieno[3,2-c]chromen-2-yl)methanone?
The InChIKey is NZEOPECXSOYROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c21-18(20-7-5-19(6-8-20)23-9-10-24-19)16-11-13-12-22-15-4-2-1-3-14(15)17(13)25-16/h1-4,11H,5-10,12H2.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(4H-thieno[3,2-c]chromen-2-yl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(4H-thieno[3,2-c]chromen-2-yl)methanone has a molecular weight of 357.43 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(4H-thieno[3,2-c]chromen-2-yl)methanone is sourced from PubChem (CID 3241134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).