(5S)-2-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C19H28N2O2S — CID 97139743

IUPAC(5S)-2-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1NCCC[C@@]12CCN(Cc1ccc(SC3CCCCC3)o1)C2
InChIInChI=1S/C19H28N2O2S/c22-18-19(9-4-11-20-18)10-12-21(14-19)13-15-7-8-17(23-15)24-16-5-2-1-3-6-16/h7-8,16H,1-6,9-14H2,(H,20,22)/t19-/m0/s1
InChIKeyURMSIBBMUKQMCD-IBGZPJMESA-N
MW348.51 g/mol
LogP3.81
Rot. Bonds4

About (5S)-2-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97139743) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is (5S)-2-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97139743
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name(5S)-2-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1NCCC[C@@]12CCN(Cc1ccc(SC3CCCCC3)o1)C2
InChIInChI=1S/C19H28N2O2S/c22-18-19(9-4-11-20-18)10-12-21(14-19)13-15-7-8-17(23-15)24-16-5-2-1-3-6-16/h7-8,16H,1-6,9-14H2,(H,20,22)/t19-/m0/s1
InChIKeyURMSIBBMUKQMCD-IBGZPJMESA-N
XLogP3.81
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97139743) is (5S)-2-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is O=C1NCCC[C@@]12CCN(Cc1ccc(SC3CCCCC3)o1)C2.
What is the InChIKey of (5S)-2-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is URMSIBBMUKQMCD-IBGZPJMESA-N. The full InChI is InChI=1S/C19H28N2O2S/c22-18-19(9-4-11-20-18)10-12-21(14-19)13-15-7-8-17(23-15)24-16-5-2-1-3-6-16/h7-8,16H,1-6,9-14H2,(H,20,22)/t19-/m0/s1.
What are the key properties of (5S)-2-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 348.51 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97139743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).