8-(furan-2-carbonyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

C17H18N2O4S — CID 46112671

IUPAC8-(furan-2-carbonyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C(c1ccco1)N1CCC2(CC1)SCC(=O)N2Cc1ccco1
InChIInChI=1S/C17H18N2O4S/c20-15-12-24-17(19(15)11-13-3-1-9-22-13)5-7-18(8-6-17)16(21)14-4-2-10-23-14/h1-4,9-10H,5-8,11-12H2
InChIKeySOSLLFZBERXPNJ-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.58
Rot. Bonds3

About 8-(furan-2-carbonyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

8-(furan-2-carbonyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 46112671) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 8-(furan-2-carbonyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(furan-2-carbonyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID46112671
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name8-(furan-2-carbonyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C(c1ccco1)N1CCC2(CC1)SCC(=O)N2Cc1ccco1
InChIInChI=1S/C17H18N2O4S/c20-15-12-24-17(19(15)11-13-3-1-9-22-13)5-7-18(8-6-17)16(21)14-4-2-10-23-14/h1-4,9-10H,5-8,11-12H2
InChIKeySOSLLFZBERXPNJ-UHFFFAOYSA-N
XLogP2.58
TPSA66.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(furan-2-carbonyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-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

3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone
CID 2225250
1-[8-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-methylbutan-1-one
CID 811451
8-(2-chloroacetyl)-4-(thiophen-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 175908520
furan-2-yl(thiomorpholin-4-yl)methanone
CID 2804982
azepan-1-yl(furan-2-yl)methanone
CID 5200992
9-(furan-2-carbonyl)-1-methyl-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97373327
furan-2-yl-[2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone
CID 3234982
1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974601
(3S)-8-(furan-2-carbonyl)-1-(2-methoxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97383988
(5R)-9-(furan-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896827
(4-cyclopropylidenepiperidin-1-yl)-(furan-2-yl)methanone
CID 121184150

Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-carbonyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(furan-2-carbonyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 46112671) is 8-(furan-2-carbonyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(furan-2-carbonyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(furan-2-carbonyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is O=C(c1ccco1)N1CCC2(CC1)SCC(=O)N2Cc1ccco1.
What is the InChIKey of 8-(furan-2-carbonyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is SOSLLFZBERXPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c20-15-12-24-17(19(15)11-13-3-1-9-22-13)5-7-18(8-6-17)16(21)14-4-2-10-23-14/h1-4,9-10H,5-8,11-12H2.
What are the key properties of 8-(furan-2-carbonyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
8-(furan-2-carbonyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 346.41 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-carbonyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 46112671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).