1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methylthiophen-2-yl)methanone

C13H17NO3S — CID 35436332

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H17NO3S/c1-10-2-9-18-11(10)12(15)14-5-3-13(4-6-14)16-7-8-17-13/h2,9H,3-8H2,1H3
InChIKeyCSHMAIYVPSVILP-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.04
Rot. Bonds1

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methylthiophen-2-yl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methylthiophen-2-yl)methanone (PubChem CID 35436332) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methylthiophen-2-yl)methanone
PubChem CID35436332
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H17NO3S/c1-10-2-9-18-11(10)12(15)14-5-3-13(4-6-14)16-7-8-17-13/h2,9H,3-8H2,1H3
InChIKeyCSHMAIYVPSVILP-UHFFFAOYSA-N
XLogP2.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methylthiophen-2-yl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methylthiophen-2-yl)methanone (CID 35436332) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methylthiophen-2-yl)methanone?
The InChIKey is CSHMAIYVPSVILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-10-2-9-18-11(10)12(15)14-5-3-13(4-6-14)16-7-8-17-13/h2,9H,3-8H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methylthiophen-2-yl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methylthiophen-2-yl)methanone has a molecular weight of 267.35 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 35436332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).