(5R)-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-3-trimethylsilylpyrrolidin-2-one

C17H27NO3SSi — CID 10618079

IUPAC(5R)-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-3-trimethylsilylpyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)C([Si](C)(C)C)C[C@@H]2C(C)C)cc1
InChIInChI=1S/C17H27NO3SSi/c1-12(2)15-11-16(23(4,5)6)17(19)18(15)22(20,21)14-9-7-13(3)8-10-14/h7-10,12,15-16H,11H2,1-6H3/t15-,16?/m1/s1
InChIKeyDDXXZTCUNJQASA-AAFJCEBUSA-N
MW353.56 g/mol
LogP3.65
Rot. Bonds4

About (5R)-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-3-trimethylsilylpyrrolidin-2-one

(5R)-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-3-trimethylsilylpyrrolidin-2-one (PubChem CID 10618079) has the molecular formula C17H27NO3SSi and a molecular weight of 353.56 g/mol. Its IUPAC name is (5R)-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-3-trimethylsilylpyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-3-trimethylsilylpyrrolidin-2-one
PubChem CID10618079
Molecular FormulaC17H27NO3SSi
Molecular Weight353.56 g/mol
Exact Mass353.15
IUPAC Name(5R)-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-3-trimethylsilylpyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)C([Si](C)(C)C)C[C@@H]2C(C)C)cc1
InChIInChI=1S/C17H27NO3SSi/c1-12(2)15-11-16(23(4,5)6)17(19)18(15)22(20,21)14-9-7-13(3)8-10-14/h7-10,12,15-16H,11H2,1-6H3/t15-,16?/m1/s1
InChIKeyDDXXZTCUNJQASA-AAFJCEBUSA-N
XLogP3.65
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.56
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(p-Toluenesulfonyl)-2-pyrrolidinone
CID 563071
N-isopropyl-4-[3-oxo-3-(1-pyrrolidinyl)propyl]benzenesulfonamide
CID 978022
4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylbenzenesulfonamide
CID 3156904
N-isobutyl-4-[3-oxo-3-(1-pyrrolidinyl)propyl]benzenesulfonamide
CID 976884
N-tert-butyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 900785
4-methyl-N-(4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)benzenesulfonamide
CID 16375004
N-cyclopentyl-3-{4-[(isobutylamino)sulfonyl]phenyl}propanamide
CID 1006898
[1-(4-Methylphenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 2932557
N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)-4-methylbenzenesulfonamide
CID 145958299
1-Methyl-4-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one
CID 162645892
4-(1-methyl-5-oxopyrrolidin-3-yl)-N-propan-2-ylbenzenesulfonamide
CID 162650520
N,N-diethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 162671082

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-3-trimethylsilylpyrrolidin-2-one?
The IUPAC name of (5R)-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-3-trimethylsilylpyrrolidin-2-one (CID 10618079) is (5R)-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-3-trimethylsilylpyrrolidin-2-one.
What is the SMILES notation for (5R)-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-3-trimethylsilylpyrrolidin-2-one?
The canonical SMILES for (5R)-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-3-trimethylsilylpyrrolidin-2-one is Cc1ccc(S(=O)(=O)N2C(=O)C([Si](C)(C)C)C[C@@H]2C(C)C)cc1.
What is the InChIKey of (5R)-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-3-trimethylsilylpyrrolidin-2-one?
The InChIKey is DDXXZTCUNJQASA-AAFJCEBUSA-N. The full InChI is InChI=1S/C17H27NO3SSi/c1-12(2)15-11-16(23(4,5)6)17(19)18(15)22(20,21)14-9-7-13(3)8-10-14/h7-10,12,15-16H,11H2,1-6H3/t15-,16?/m1/s1.
What are the key properties of (5R)-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-3-trimethylsilylpyrrolidin-2-one?
(5R)-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-3-trimethylsilylpyrrolidin-2-one has a molecular weight of 353.56 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-3-trimethylsilylpyrrolidin-2-one is sourced from PubChem (CID 10618079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).