(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methylthiophen-2-yl)methanone

C16H23NO3S — CID 91917975

IUPAC(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methylthiophen-2-yl)methanone
SMILESCOC1CCOC2(CCN(C(=O)c3sccc3C)CC2)C1
InChIInChI=1S/C16H23NO3S/c1-12-4-10-21-14(12)15(18)17-7-5-16(6-8-17)11-13(19-2)3-9-20-16/h4,10,13H,3,5-9,11H2,1-2H3
InChIKeyAGMGWXXICCWIOZ-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.86
Rot. Bonds2

About (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methylthiophen-2-yl)methanone

(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methylthiophen-2-yl)methanone (PubChem CID 91917975) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methylthiophen-2-yl)methanone
PubChem CID91917975
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methylthiophen-2-yl)methanone
SMILESCOC1CCOC2(CCN(C(=O)c3sccc3C)CC2)C1
InChIInChI=1S/C16H23NO3S/c1-12-4-10-21-14(12)15(18)17-7-5-16(6-8-17)11-13(19-2)3-9-20-16/h4,10,13H,3,5-9,11H2,1-2H3
InChIKeyAGMGWXXICCWIOZ-UHFFFAOYSA-N
XLogP2.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methylthiophen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]thiophene-2-carboxamide
CID 4012567
(3-Methylol-3-phenethyl-piperidino)-(2-thienyl)methanone
CID 24816681
{3-Benzyl-1-[(3-methyl-2-thienyl)carbonyl]-3-piperidinyl}methanol
CID 24790078
N-Cyclopropyl-N-[(4-fluorophenyl)methyl]-9-(3-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91908291
N-Cyclopropyl-N-[(4-fluorophenyl)methyl]-9-(thiophene-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91919155
4-[(4-Fluorophenyl)methyl]-9-(thiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecane
CID 124053245
(3R*,4R*)-1-[(5-isopropyl-3-thienyl)carbonyl]-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72854489
N-Cyclopropyl-N-[(4-fluorophenyl)methyl]-9-(thiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91908288
1-(4-{Cyclopropyl[(4-fluorophenyl)methyl]amino}-1-oxa-9-azaspiro[5.5]undecan-9-YL)-2-(thiophen-3-YL)ethan-1-one
CID 91919153
[(3S,3aR,7aR)-3-[(dimethylamino)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone
CID 97386762
[9-(2-Methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-2-ylmethanone
CID 97450876
[4-[Benzyl(cyclopropyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylthiophen-2-yl)methanone
CID 91908277

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methylthiophen-2-yl)methanone?
The IUPAC name of (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methylthiophen-2-yl)methanone (CID 91917975) is (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methylthiophen-2-yl)methanone is COC1CCOC2(CCN(C(=O)c3sccc3C)CC2)C1.
What is the InChIKey of (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methylthiophen-2-yl)methanone?
The InChIKey is AGMGWXXICCWIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-12-4-10-21-14(12)15(18)17-7-5-16(6-8-17)11-13(19-2)3-9-20-16/h4,10,13H,3,5-9,11H2,1-2H3.
What are the key properties of (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methylthiophen-2-yl)methanone?
(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methylthiophen-2-yl)methanone has a molecular weight of 309.43 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 91917975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).