(4R)-4-amino-3-methyl-4-[(4-methylphenyl)sulfinylmethyl]cyclohexa-2,5-dien-1-one

C15H17NO2S — CID 101193302

IUPAC(4R)-4-amino-3-methyl-4-[(4-methylphenyl)sulfinylmethyl]cyclohexa-2,5-dien-1-one
SMILESCC1=CC(=O)C=C[C@]1(N)CS(=O)c1ccc(C)cc1
InChIInChI=1S/C15H17NO2S/c1-11-3-5-14(6-4-11)19(18)10-15(16)8-7-13(17)9-12(15)2/h3-9H,10,16H2,1-2H3/t15-,19?/m0/s1
InChIKeyZHOLYBVITFCZMR-FUKCDUGKSA-N
MW275.37 g/mol
LogP1.89
Rot. Bonds3

About (4R)-4-amino-3-methyl-4-[(4-methylphenyl)sulfinylmethyl]cyclohexa-2,5-dien-1-one

(4R)-4-amino-3-methyl-4-[(4-methylphenyl)sulfinylmethyl]cyclohexa-2,5-dien-1-one (PubChem CID 101193302) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is (4R)-4-amino-3-methyl-4-[(4-methylphenyl)sulfinylmethyl]cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name(4R)-4-amino-3-methyl-4-[(4-methylphenyl)sulfinylmethyl]cyclohexa-2,5-dien-1-one
PubChem CID101193302
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name(4R)-4-amino-3-methyl-4-[(4-methylphenyl)sulfinylmethyl]cyclohexa-2,5-dien-1-one
SMILESCC1=CC(=O)C=C[C@]1(N)CS(=O)c1ccc(C)cc1
InChIInChI=1S/C15H17NO2S/c1-11-3-5-14(6-4-11)19(18)10-15(16)8-7-13(17)9-12(15)2/h3-9H,10,16H2,1-2H3/t15-,19?/m0/s1
InChIKeyZHOLYBVITFCZMR-FUKCDUGKSA-N
XLogP1.89
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-4-amino-3-methyl-4-[(4-methylphenyl)sulfinylmethyl]cyclohexa-2,5-dien-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-4-[[(S)-(4-methylphenyl)sulfinyl]methyl]cyclohexa-2,5-dien-1-one
CID 11322988
4-hydroxy-3,5-dimethyl-4-[(4-methylphenyl)sulfinylmethyl]cyclohexa-2,5-dien-1-one
CID 85196809
4-(benzylamino)-4-[(4-methylphenyl)sulfinylmethyl]cyclohexa-2,5-dien-1-one
CID 102209331
1-(2,2-dimethylpropylsulfinyl)-4-methylbenzene
CID 86203544
4,4-dimethoxy-3,5-dimethyl-1-[[(R)-(4-methylphenyl)sulfinyl]methyl]cyclohexa-2,5-dien-1-ol
CID 10616867
1-[(1R)-1-deuterio-2,2-dimethylpropyl]sulfinyl-4-methylbenzene
CID 101168371
(2R)-2-methyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolane
CID 11264913
2-[(S)-(4-methylphenyl)sulfinyl]acetic acid
CID 54403067
(4R,5R)-4-hydroxy-4-[[(R)-(4-methylphenyl)sulfinyl]methyl]-5-[4-(trifluoromethyl)phenyl]cyclohex-2-en-1-one
CID 42598559
(4R,5R)-4-hydroxy-4-[(4-methylphenyl)sulfinylmethyl]-5-[4-(trifluoromethyl)phenyl]cyclohex-2-en-1-one
CID 102507946
trimethyl-[2-(4-methylphenyl)sulfinylethyl]silane
CID 23729825
(2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 10932431

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-3-methyl-4-[(4-methylphenyl)sulfinylmethyl]cyclohexa-2,5-dien-1-one?
The IUPAC name of (4R)-4-amino-3-methyl-4-[(4-methylphenyl)sulfinylmethyl]cyclohexa-2,5-dien-1-one (CID 101193302) is (4R)-4-amino-3-methyl-4-[(4-methylphenyl)sulfinylmethyl]cyclohexa-2,5-dien-1-one.
What is the SMILES notation for (4R)-4-amino-3-methyl-4-[(4-methylphenyl)sulfinylmethyl]cyclohexa-2,5-dien-1-one?
The canonical SMILES for (4R)-4-amino-3-methyl-4-[(4-methylphenyl)sulfinylmethyl]cyclohexa-2,5-dien-1-one is CC1=CC(=O)C=C[C@]1(N)CS(=O)c1ccc(C)cc1.
What is the InChIKey of (4R)-4-amino-3-methyl-4-[(4-methylphenyl)sulfinylmethyl]cyclohexa-2,5-dien-1-one?
The InChIKey is ZHOLYBVITFCZMR-FUKCDUGKSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11-3-5-14(6-4-11)19(18)10-15(16)8-7-13(17)9-12(15)2/h3-9H,10,16H2,1-2H3/t15-,19?/m0/s1.
What are the key properties of (4R)-4-amino-3-methyl-4-[(4-methylphenyl)sulfinylmethyl]cyclohexa-2,5-dien-1-one?
(4R)-4-amino-3-methyl-4-[(4-methylphenyl)sulfinylmethyl]cyclohexa-2,5-dien-1-one has a molecular weight of 275.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-3-methyl-4-[(4-methylphenyl)sulfinylmethyl]cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 101193302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).