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

C19H24N2O3S — CID 97473106

IUPAC(5R)-7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane
SMILESCc1ccc(CN2CCC[C@]23CCN(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/t19-/m1/s1
InChIKeyBXFNTASPYBLHDX-LJQANCHMSA-N
MW360.48 g/mol
LogP3.02
Rot. Bonds4

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

(5R)-7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane (PubChem CID 97473106) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is (5R)-7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name(5R)-7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane
PubChem CID97473106
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name(5R)-7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane
SMILESCc1ccc(CN2CCC[C@]23CCN(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/t19-/m1/s1
InChIKeyBXFNTASPYBLHDX-LJQANCHMSA-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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Frequently Asked Questions

What is the IUPAC name of (5R)-7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane?
The IUPAC name of (5R)-7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane (CID 97473106) is (5R)-7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane.
What is the SMILES notation for (5R)-7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane?
The canonical SMILES for (5R)-7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane is Cc1ccc(CN2CCC[C@]23CCN(S(=O)(=O)c2ccccc2)C3)o1.
What is the InChIKey of (5R)-7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane?
The InChIKey is BXFNTASPYBLHDX-LJQANCHMSA-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/t19-/m1/s1.
What are the key properties of (5R)-7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane?
(5R)-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 (5R)-7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 97473106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).