(5R)-5-(2-methylsulfanylethyl)-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]imidazolidine-2,4-dione

C18H29N3O3S — CID 124856952

IUPAC(5R)-5-(2-methylsulfanylethyl)-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]imidazolidine-2,4-dione
SMILESCSCC[C@H]1NC(=O)N(CC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)C1=O
InChIInChI=1S/C18H29N3O3S/c1-17(2)7-12-8-18(3,10-17)11-21(12)14(22)9-20-15(23)13(5-6-25-4)19-16(20)24/h12-13H,5-11H2,1-4H3,(H,19,24)/t12-,13-,18+/m1/s1
InChIKeyVZTLEKJENDLUNN-VFVRVIDISA-N
MW367.52 g/mol
LogP2.09
Rot. Bonds5

About (5R)-5-(2-methylsulfanylethyl)-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]imidazolidine-2,4-dione

(5R)-5-(2-methylsulfanylethyl)-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 124856952) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is (5R)-5-(2-methylsulfanylethyl)-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(2-methylsulfanylethyl)-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]imidazolidine-2,4-dione
PubChem CID124856952
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name(5R)-5-(2-methylsulfanylethyl)-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]imidazolidine-2,4-dione
SMILESCSCC[C@H]1NC(=O)N(CC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)C1=O
InChIInChI=1S/C18H29N3O3S/c1-17(2)7-12-8-18(3,10-17)11-21(12)14(22)9-20-15(23)13(5-6-25-4)19-16(20)24/h12-13H,5-11H2,1-4H3,(H,19,24)/t12-,13-,18+/m1/s1
InChIKeyVZTLEKJENDLUNN-VFVRVIDISA-N
XLogP2.09
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-methylsulfanylethyl)-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(2-methylsulfanylethyl)-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]imidazolidine-2,4-dione (CID 124856952) is (5R)-5-(2-methylsulfanylethyl)-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(2-methylsulfanylethyl)-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(2-methylsulfanylethyl)-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]imidazolidine-2,4-dione is CSCC[C@H]1NC(=O)N(CC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)C1=O.
What is the InChIKey of (5R)-5-(2-methylsulfanylethyl)-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is VZTLEKJENDLUNN-VFVRVIDISA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-17(2)7-12-8-18(3,10-17)11-21(12)14(22)9-20-15(23)13(5-6-25-4)19-16(20)24/h12-13H,5-11H2,1-4H3,(H,19,24)/t12-,13-,18+/m1/s1.
What are the key properties of (5R)-5-(2-methylsulfanylethyl)-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]imidazolidine-2,4-dione?
(5R)-5-(2-methylsulfanylethyl)-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 367.52 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-methylsulfanylethyl)-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 124856952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).