furan-2-yl-(6-methylsulfonyl-2,6-diazaspiro[4.5]decan-2-yl)methanone

C14H20N2O4S — CID 134074747

IUPACfuran-2-yl-(6-methylsulfonyl-2,6-diazaspiro[4.5]decan-2-yl)methanone
SMILESCS(=O)(=O)N1CCCCC12CCN(C(=O)c1ccco1)C2
InChIInChI=1S/C14H20N2O4S/c1-21(18,19)16-8-3-2-6-14(16)7-9-15(11-14)13(17)12-5-4-10-20-12/h4-5,10H,2-3,6-9,11H2,1H3
InChIKeyPVIXOEKUFIIGAK-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.31
Rot. Bonds2

About furan-2-yl-(6-methylsulfonyl-2,6-diazaspiro[4.5]decan-2-yl)methanone

furan-2-yl-(6-methylsulfonyl-2,6-diazaspiro[4.5]decan-2-yl)methanone (PubChem CID 134074747) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is furan-2-yl-(6-methylsulfonyl-2,6-diazaspiro[4.5]decan-2-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(6-methylsulfonyl-2,6-diazaspiro[4.5]decan-2-yl)methanone
PubChem CID134074747
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Namefuran-2-yl-(6-methylsulfonyl-2,6-diazaspiro[4.5]decan-2-yl)methanone
SMILESCS(=O)(=O)N1CCCCC12CCN(C(=O)c1ccco1)C2
InChIInChI=1S/C14H20N2O4S/c1-21(18,19)16-8-3-2-6-14(16)7-9-15(11-14)13(17)12-5-4-10-20-12/h4-5,10H,2-3,6-9,11H2,1H3
InChIKeyPVIXOEKUFIIGAK-UHFFFAOYSA-N
XLogP1.31
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(5S,10S)-10-fluoro-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]-(furan-2-yl)methanone
CID 124522121
3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
(3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020168
azepan-1-yl(furan-2-yl)methanone
CID 5200992
(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-pyridazin-4-ylmethanone
CID 118739245
9-(furan-2-ylmethyl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
CID 131639239
[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(4-propylphenyl)methanone
CID 97393532
[4-[(3R)-3-ethyl-1-methylsulfonylpyrrolidin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 95112284
6-(furan-2-carbonyl)-2-methyl-2,6-diazaspiro[4.5]decan-3-one
CID 134073885
furan-2-yl-(4-piperidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 5298740
furan-2-yl-[4-(1-hydroxycyclopentanecarbonyl)piperazin-1-yl]methanone
CID 110906971
[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-2-yl)methanone
CID 129349488

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(6-methylsulfonyl-2,6-diazaspiro[4.5]decan-2-yl)methanone?
The IUPAC name of furan-2-yl-(6-methylsulfonyl-2,6-diazaspiro[4.5]decan-2-yl)methanone (CID 134074747) is furan-2-yl-(6-methylsulfonyl-2,6-diazaspiro[4.5]decan-2-yl)methanone.
What is the SMILES notation for furan-2-yl-(6-methylsulfonyl-2,6-diazaspiro[4.5]decan-2-yl)methanone?
The canonical SMILES for furan-2-yl-(6-methylsulfonyl-2,6-diazaspiro[4.5]decan-2-yl)methanone is CS(=O)(=O)N1CCCCC12CCN(C(=O)c1ccco1)C2.
What is the InChIKey of furan-2-yl-(6-methylsulfonyl-2,6-diazaspiro[4.5]decan-2-yl)methanone?
The InChIKey is PVIXOEKUFIIGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-21(18,19)16-8-3-2-6-14(16)7-9-15(11-14)13(17)12-5-4-10-20-12/h4-5,10H,2-3,6-9,11H2,1H3.
What are the key properties of furan-2-yl-(6-methylsulfonyl-2,6-diazaspiro[4.5]decan-2-yl)methanone?
furan-2-yl-(6-methylsulfonyl-2,6-diazaspiro[4.5]decan-2-yl)methanone has a molecular weight of 312.39 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(6-methylsulfonyl-2,6-diazaspiro[4.5]decan-2-yl)methanone is sourced from PubChem (CID 134074747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).