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

C17H24N2O3S — CID 811451

IUPAC1-[8-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCSC12CCN(C(=O)c1ccco1)CC2
InChIInChI=1S/C17H24N2O3S/c1-13(2)12-15(20)19-9-11-23-17(19)5-7-18(8-6-17)16(21)14-4-3-10-22-14/h3-4,10,13H,5-9,11-12H2,1-2H3
InChIKeyCIUUPGHOBWMKLD-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.83
Rot. Bonds3

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

1-[8-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-methylbutan-1-one (PubChem CID 811451) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-[8-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[8-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-methylbutan-1-one
PubChem CID811451
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name1-[8-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCSC12CCN(C(=O)c1ccco1)CC2
InChIInChI=1S/C17H24N2O3S/c1-13(2)12-15(20)19-9-11-23-17(19)5-7-18(8-6-17)16(21)14-4-3-10-22-14/h3-4,10,13H,5-9,11-12H2,1-2H3
InChIKeyCIUUPGHOBWMKLD-UHFFFAOYSA-N
XLogP2.83
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[8-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-methylbutan-1-one with MolForge

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Related Compounds

1-[4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-3,5,5-trimethylhexan-1-one
CID 4021612
[4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(4-methoxyphenyl)methanone
CID 5126806
1-[4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone
CID 5222255
2-ethyl-1-[4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]hexan-1-one
CID 4320559
N-(4-ethylphenyl)-4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 4000989
N-ethyl-4-(3-methylbutanoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 811478
3-methyl-1-[4-(3-phenylprop-2-enoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]butan-1-one
CID 3970730
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one
CID 110316558
3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one
CID 110355835
furan-2-yl(thiomorpholin-4-yl)methanone
CID 2804982
8-(furan-2-carbonyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112671

Frequently Asked Questions

What is the IUPAC name of 1-[8-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[8-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-methylbutan-1-one (CID 811451) is 1-[8-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[8-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[8-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CCSC12CCN(C(=O)c1ccco1)CC2.
What is the InChIKey of 1-[8-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-methylbutan-1-one?
The InChIKey is CIUUPGHOBWMKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-13(2)12-15(20)19-9-11-23-17(19)5-7-18(8-6-17)16(21)14-4-3-10-22-14/h3-4,10,13H,5-9,11-12H2,1-2H3.
What are the key properties of 1-[8-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-methylbutan-1-one?
1-[8-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-methylbutan-1-one has a molecular weight of 336.46 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-methylbutan-1-one is sourced from PubChem (CID 811451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).