(5R,6S)-3-[2-(2,5-dichlorophenyl)sulfanylethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C17H20Cl2N2O2S — CID 7703177

IUPAC(5R,6S)-3-[2-(2,5-dichlorophenyl)sulfanylethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@H]1CCCC[C@@]12NC(=O)N(CCSc1cc(Cl)ccc1Cl)C2=O
InChIInChI=1S/C17H20Cl2N2O2S/c1-11-4-2-3-7-17(11)15(22)21(16(23)20-17)8-9-24-14-10-12(18)5-6-13(14)19/h5-6,10-11H,2-4,7-9H2,1H3,(H,20,23)/t11-,17+/m0/s1
InChIKeyIWIHIKGJJJLJMU-APPDUMDISA-N
MW387.33 g/mol
LogP4.59
Rot. Bonds4

About (5R,6S)-3-[2-(2,5-dichlorophenyl)sulfanylethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

(5R,6S)-3-[2-(2,5-dichlorophenyl)sulfanylethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 7703177) has the molecular formula C17H20Cl2N2O2S and a molecular weight of 387.33 g/mol. Its IUPAC name is (5R,6S)-3-[2-(2,5-dichlorophenyl)sulfanylethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5R,6S)-3-[2-(2,5-dichlorophenyl)sulfanylethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID7703177
Molecular FormulaC17H20Cl2N2O2S
Molecular Weight387.33 g/mol
Exact Mass386.06
IUPAC Name(5R,6S)-3-[2-(2,5-dichlorophenyl)sulfanylethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@H]1CCCC[C@@]12NC(=O)N(CCSc1cc(Cl)ccc1Cl)C2=O
InChIInChI=1S/C17H20Cl2N2O2S/c1-11-4-2-3-7-17(11)15(22)21(16(23)20-17)8-9-24-14-10-12(18)5-6-13(14)19/h5-6,10-11H,2-4,7-9H2,1H3,(H,20,23)/t11-,17+/m0/s1
InChIKeyIWIHIKGJJJLJMU-APPDUMDISA-N
XLogP4.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.33
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-chlorophenoxy)ethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 42898078
3-[(3-chlorophenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 3330388
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7265379
6-methyl-3-propyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17429707
N-[2-(2,4-dichlorophenyl)ethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 6591160
N-(4-chloro-2-methylphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703321
N-(5-chloro-2-methylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4797462
(5R,6S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680971
(5S,6R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680977
N-(3-chloro-4-fluorophenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703421
N-(2,5-dichlorophenyl)-2-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl-propylamino]acetamide
CID 26003719
3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46799345

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-3-[2-(2,5-dichlorophenyl)sulfanylethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5R,6S)-3-[2-(2,5-dichlorophenyl)sulfanylethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 7703177) is (5R,6S)-3-[2-(2,5-dichlorophenyl)sulfanylethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5R,6S)-3-[2-(2,5-dichlorophenyl)sulfanylethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5R,6S)-3-[2-(2,5-dichlorophenyl)sulfanylethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is C[C@H]1CCCC[C@@]12NC(=O)N(CCSc1cc(Cl)ccc1Cl)C2=O.
What is the InChIKey of (5R,6S)-3-[2-(2,5-dichlorophenyl)sulfanylethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is IWIHIKGJJJLJMU-APPDUMDISA-N. The full InChI is InChI=1S/C17H20Cl2N2O2S/c1-11-4-2-3-7-17(11)15(22)21(16(23)20-17)8-9-24-14-10-12(18)5-6-13(14)19/h5-6,10-11H,2-4,7-9H2,1H3,(H,20,23)/t11-,17+/m0/s1.
What are the key properties of (5R,6S)-3-[2-(2,5-dichlorophenyl)sulfanylethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
(5R,6S)-3-[2-(2,5-dichlorophenyl)sulfanylethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 387.33 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-3-[2-(2,5-dichlorophenyl)sulfanylethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 7703177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).