N,N-dimethyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine

C14H23N3OS — CID 118745959

IUPACN,N-dimethyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(C)C1COC2(CCN(Cc3nccs3)CC2)C1
InChIInChI=1S/C14H23N3OS/c1-16(2)12-9-14(18-11-12)3-6-17(7-4-14)10-13-15-5-8-19-13/h5,8,12H,3-4,6-7,9-11H2,1-2H3
InChIKeyNFFNJJHRRGFYFP-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.83
Rot. Bonds3

About N,N-dimethyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine

N,N-dimethyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 118745959) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N,N-dimethyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID118745959
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN,N-dimethyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(C)C1COC2(CCN(Cc3nccs3)CC2)C1
InChIInChI=1S/C14H23N3OS/c1-16(2)12-9-14(18-11-12)3-6-17(7-4-14)10-13-15-5-8-19-13/h5,8,12H,3-4,6-7,9-11H2,1-2H3
InChIKeyNFFNJJHRRGFYFP-UHFFFAOYSA-N
XLogP1.83
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of N,N-dimethyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 118745959) is N,N-dimethyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for N,N-dimethyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for N,N-dimethyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine is CN(C)C1COC2(CCN(Cc3nccs3)CC2)C1.
What is the InChIKey of N,N-dimethyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is NFFNJJHRRGFYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-16(2)12-9-14(18-11-12)3-6-17(7-4-14)10-13-15-5-8-19-13/h5,8,12H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of N,N-dimethyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
N,N-dimethyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 281.42 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 118745959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).