8-(furan-2-ylmethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane

C14H22N2O3S — CID 97372623

IUPAC8-(furan-2-ylmethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCCC12CCN(Cc1ccco1)CC2
InChIInChI=1S/C14H22N2O3S/c1-20(17,18)16-8-3-5-14(16)6-9-15(10-7-14)12-13-4-2-11-19-13/h2,4,11H,3,5-10,12H2,1H3
InChIKeyAEWTWELPPUKRMZ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.67
Rot. Bonds3

About 8-(furan-2-ylmethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane

8-(furan-2-ylmethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane (PubChem CID 97372623) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 8-(furan-2-ylmethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(furan-2-ylmethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane
PubChem CID97372623
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name8-(furan-2-ylmethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCCC12CCN(Cc1ccco1)CC2
InChIInChI=1S/C14H22N2O3S/c1-20(17,18)16-8-3-5-14(16)6-9-15(10-7-14)12-13-4-2-11-19-13/h2,4,11H,3,5-10,12H2,1H3
InChIKeyAEWTWELPPUKRMZ-UHFFFAOYSA-N
XLogP1.67
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(furan-2-ylmethyl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
CID 131639239
1-methylsulfonyl-8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97372630
1-(furan-2-ylmethyl)piperidine;methanamine
CID 162741090
1-methylsulfonyl-7-(pyridin-4-ylmethyl)-1,7-diazaspiro[3.5]nonane
CID 97412786
(3aR,7aR)-6-(furan-2-ylmethyl)-1-methylsulfonyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridine
CID 97381136
4-(dimethylamino)-1-(furan-2-ylmethyl)piperidine-4-carboxylic acid
CID 117011999
(5S)-3-ethyl-9-(furan-2-ylmethyl)-13-methylsulfonyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97360551
[4-amino-1-(furan-2-ylmethyl)piperidin-4-yl]methanol
CID 117012092
furan-2-yl-(6-methylsulfonyl-2,6-diazaspiro[4.5]decan-2-yl)methanone
CID 134074747
2-[9-(furan-2-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylethanamine
CID 118747030
8-(furan-2-ylmethyl)-1-methyl-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 131639615
1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974

Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-ylmethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(furan-2-ylmethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane (CID 97372623) is 8-(furan-2-ylmethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(furan-2-ylmethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(furan-2-ylmethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane is CS(=O)(=O)N1CCCC12CCN(Cc1ccco1)CC2.
What is the InChIKey of 8-(furan-2-ylmethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane?
The InChIKey is AEWTWELPPUKRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-20(17,18)16-8-3-5-14(16)6-9-15(10-7-14)12-13-4-2-11-19-13/h2,4,11H,3,5-10,12H2,1H3.
What are the key properties of 8-(furan-2-ylmethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane?
8-(furan-2-ylmethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane has a molecular weight of 298.41 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-ylmethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97372623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).