N,N-dimethyl-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-carboxamide

C15H26N2O3S — CID 131647599

IUPACN,N-dimethyl-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-carboxamide
SMILESCN(C)C(=O)N1CC2(CC(OCC3CCOCC3)CS2)C1
InChIInChI=1S/C15H26N2O3S/c1-16(2)14(18)17-10-15(11-17)7-13(9-21-15)20-8-12-3-5-19-6-4-12/h12-13H,3-11H2,1-2H3
InChIKeyRNEXXIXVLJQDCF-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.67
Rot. Bonds3

About N,N-dimethyl-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-carboxamide

N,N-dimethyl-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-carboxamide (PubChem CID 131647599) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N,N-dimethyl-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-carboxamide
PubChem CID131647599
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN,N-dimethyl-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-carboxamide
SMILESCN(C)C(=O)N1CC2(CC(OCC3CCOCC3)CS2)C1
InChIInChI=1S/C15H26N2O3S/c1-16(2)14(18)17-10-15(11-17)7-13(9-21-15)20-8-12-3-5-19-6-4-12/h12-13H,3-11H2,1-2H3
InChIKeyRNEXXIXVLJQDCF-UHFFFAOYSA-N
XLogP1.67
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(cyclopropylmethoxy)-N,N-dimethyl-5-thia-2-azaspiro[3.4]octane-2-carboxamide
CID 131661234
2-methoxy-1-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124792404
2-(dimethylamino)-1-[7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155843518
[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(oxan-4-yl)methanone
CID 124791159
2-ethoxy-1-[7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 131692247
(3,5-dimethylphenyl)-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124796560
[7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone
CID 131662707
2-(4-methylphenyl)-1-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124792912
(4-ethylphenyl)-[7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131640358
(5-methylfuran-2-yl)-[7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131648180
(3-methyl-1,2-oxazol-5-yl)-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124913052
[(7S)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 124796712

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-carboxamide?
The IUPAC name of N,N-dimethyl-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-carboxamide (CID 131647599) is N,N-dimethyl-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-carboxamide?
The canonical SMILES for N,N-dimethyl-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-carboxamide is CN(C)C(=O)N1CC2(CC(OCC3CCOCC3)CS2)C1.
What is the InChIKey of N,N-dimethyl-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-carboxamide?
The InChIKey is RNEXXIXVLJQDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-16(2)14(18)17-10-15(11-17)7-13(9-21-15)20-8-12-3-5-19-6-4-12/h12-13H,3-11H2,1-2H3.
What are the key properties of N,N-dimethyl-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-carboxamide?
N,N-dimethyl-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-carboxamide has a molecular weight of 314.45 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-carboxamide is sourced from PubChem (CID 131647599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).