7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane

C19H24N2O3S — CID 118741147

IUPAC7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane
SMILESCc1ccc(CN2CCCC23CCN(S(=O)(=O)c2ccccc2)C3)o1
InChIInChI=1S/C19H24N2O3S/c1-16-8-9-17(24-16)14-20-12-5-10-19(20)11-13-21(15-19)25(22,23)18-6-3-2-4-7-18/h2-4,6-9H,5,10-15H2,1H3
InChIKeyBXFNTASPYBLHDX-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.02
Rot. Bonds4

About 7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane

7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane (PubChem CID 118741147) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane
PubChem CID118741147
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane
SMILESCc1ccc(CN2CCCC23CCN(S(=O)(=O)c2ccccc2)C3)o1
InChIInChI=1S/C19H24N2O3S/c1-16-8-9-17(24-16)14-20-12-5-10-19(20)11-13-21(15-19)25(22,23)18-6-3-2-4-7-18/h2-4,6-9H,5,10-15H2,1H3
InChIKeyBXFNTASPYBLHDX-UHFFFAOYSA-N
XLogP3.02
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane
CID 97473106
7-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonane
CID 118742677
7-(benzenesulfonyl)-1-[(3-fluoro-4-methoxyphenyl)methyl]-1,7-diazaspiro[4.4]nonane
CID 134074739
7-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 118742676
1-(benzenesulfonyl)-3,3-dimethylpyrrolidine
CID 13427462
2-(benzenesulfonyl)-1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]
CID 134791387
[1-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone
CID 134070855
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
[1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777513
1-(benzenesulfonyl)-4-methylazepan-4-ol
CID 107407045
(5S)-2,9-bis[(5-methylfuran-2-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 97482941
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 8692545

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane?
The IUPAC name of 7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane (CID 118741147) is 7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane?
The canonical SMILES for 7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane is Cc1ccc(CN2CCCC23CCN(S(=O)(=O)c2ccccc2)C3)o1.
What is the InChIKey of 7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane?
The InChIKey is BXFNTASPYBLHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-16-8-9-17(24-16)14-20-12-5-10-19(20)11-13-21(15-19)25(22,23)18-6-3-2-4-7-18/h2-4,6-9H,5,10-15H2,1H3.
What are the key properties of 7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane?
7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane has a molecular weight of 360.48 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 118741147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).