(3R)-8-[(2-methylsulfanylphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C22H26N2OS — CID 97190791

IUPAC(3R)-8-[(2-methylsulfanylphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCSc1ccccc1CN1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2
InChIInChI=1S/C22H26N2OS/c1-26-20-10-6-5-9-18(20)16-24-13-11-22(12-14-24)15-19(21(25)23-22)17-7-3-2-4-8-17/h2-10,19H,11-16H2,1H3,(H,23,25)/t19-/m1/s1
InChIKeyZRUWYVSXYMARCA-LJQANCHMSA-N
MW366.53 g/mol
LogP4.05
Rot. Bonds4

About (3R)-8-[(2-methylsulfanylphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

(3R)-8-[(2-methylsulfanylphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97190791) has the molecular formula C22H26N2OS and a molecular weight of 366.53 g/mol. Its IUPAC name is (3R)-8-[(2-methylsulfanylphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3R)-8-[(2-methylsulfanylphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97190791
Molecular FormulaC22H26N2OS
Molecular Weight366.53 g/mol
Exact Mass366.18
IUPAC Name(3R)-8-[(2-methylsulfanylphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCSc1ccccc1CN1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2
InChIInChI=1S/C22H26N2OS/c1-26-20-10-6-5-9-18(20)16-24-13-11-22(12-14-24)15-19(21(25)23-22)17-7-3-2-4-8-17/h2-10,19H,11-16H2,1H3,(H,23,25)/t19-/m1/s1
InChIKeyZRUWYVSXYMARCA-LJQANCHMSA-N
XLogP4.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(naphthalen-1-ylmethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72851262
8-[(2-fluoro-4-methoxyphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72881025
(3R)-8-[[2-(furan-2-yl)phenyl]methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97199846
(3R)-8-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 126441595
(3R)-8-(2-methylsulfanylacetyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97210266
(3S)-3-phenyl-8-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 126435844
(3S)-8-[(4-fluoro-3-methoxyphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 126447848
(3S)-8-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 126449511
8-(cyclopropylmethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 118742826
(3S)-8-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97200009
(3S)-8-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97286307
8-(2-hydroxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 118742830

Frequently Asked Questions

What is the IUPAC name of (3R)-8-[(2-methylsulfanylphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3R)-8-[(2-methylsulfanylphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 97190791) is (3R)-8-[(2-methylsulfanylphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3R)-8-[(2-methylsulfanylphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3R)-8-[(2-methylsulfanylphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is CSc1ccccc1CN1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2.
What is the InChIKey of (3R)-8-[(2-methylsulfanylphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is ZRUWYVSXYMARCA-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26N2OS/c1-26-20-10-6-5-9-18(20)16-24-13-11-22(12-14-24)15-19(21(25)23-22)17-7-3-2-4-8-17/h2-10,19H,11-16H2,1H3,(H,23,25)/t19-/m1/s1.
What are the key properties of (3R)-8-[(2-methylsulfanylphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
(3R)-8-[(2-methylsulfanylphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 366.53 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-[(2-methylsulfanylphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97190791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).