1-[4-(furan-3-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]-3-methylsulfonylpropan-1-one

C18H28N2O5S — CID 155876612

IUPAC1-[4-(furan-3-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]-3-methylsulfonylpropan-1-one
SMILESCS(=O)(=O)CCC(=O)N1CCCC2(CC1)CN(Cc1ccoc1)CCO2
InChIInChI=1S/C18H28N2O5S/c1-26(22,23)12-4-17(21)20-7-2-5-18(6-8-20)15-19(9-11-25-18)13-16-3-10-24-14-16/h3,10,14H,2,4-9,11-13,15H2,1H3
InChIKeyGDTKQSJQMTWKNP-UHFFFAOYSA-N
MW384.50 g/mol
LogP1.30
Rot. Bonds5

About 1-[4-(furan-3-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]-3-methylsulfonylpropan-1-one

1-[4-(furan-3-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]-3-methylsulfonylpropan-1-one (PubChem CID 155876612) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is 1-[4-(furan-3-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]-3-methylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-[4-(furan-3-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]-3-methylsulfonylpropan-1-one
PubChem CID155876612
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC Name1-[4-(furan-3-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]-3-methylsulfonylpropan-1-one
SMILESCS(=O)(=O)CCC(=O)N1CCCC2(CC1)CN(Cc1ccoc1)CCO2
InChIInChI=1S/C18H28N2O5S/c1-26(22,23)12-4-17(21)20-7-2-5-18(6-8-20)15-19(9-11-25-18)13-16-3-10-24-14-16/h3,10,14H,2,4-9,11-13,15H2,1H3
InChIKeyGDTKQSJQMTWKNP-UHFFFAOYSA-N
XLogP1.30
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(furan-3-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]-3-methylsulfonylpropan-1-one 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

1-[(6R)-8-(furan-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
CID 95043139
[4-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone
CID 97450771
2-thiophen-2-yl-1-[4-(thiophen-2-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]ethanone
CID 131669522
1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-3-methylsulfonylpropan-1-one
CID 138382170
5-[4-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl]-1H-pyrrole-3-carbonitrile
CID 131907059
1-[(6R)-4-(thiophen-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 97372386
8-cyclopropylsulfonyl-4-(furan-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 134070478
1-(4-hydroxy-4-methylazepan-1-yl)-3-methylsulfonylpropan-1-one
CID 107406453
9-(furan-3-ylmethyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155849181
[4-[(4-methylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742853
(4R)-5,5,5-trifluoro-1-[4-[(4-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-4-(hydroxymethyl)pentan-1-one
CID 126560573
[9-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 131940284

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-3-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]-3-methylsulfonylpropan-1-one?
The IUPAC name of 1-[4-(furan-3-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]-3-methylsulfonylpropan-1-one (CID 155876612) is 1-[4-(furan-3-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]-3-methylsulfonylpropan-1-one.
What is the SMILES notation for 1-[4-(furan-3-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]-3-methylsulfonylpropan-1-one?
The canonical SMILES for 1-[4-(furan-3-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]-3-methylsulfonylpropan-1-one is CS(=O)(=O)CCC(=O)N1CCCC2(CC1)CN(Cc1ccoc1)CCO2.
What is the InChIKey of 1-[4-(furan-3-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]-3-methylsulfonylpropan-1-one?
The InChIKey is GDTKQSJQMTWKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-26(22,23)12-4-17(21)20-7-2-5-18(6-8-20)15-19(9-11-25-18)13-16-3-10-24-14-16/h3,10,14H,2,4-9,11-13,15H2,1H3.
What are the key properties of 1-[4-(furan-3-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]-3-methylsulfonylpropan-1-one?
1-[4-(furan-3-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]-3-methylsulfonylpropan-1-one has a molecular weight of 384.50 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-3-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]-3-methylsulfonylpropan-1-one is sourced from PubChem (CID 155876612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).