N,N-dimethyl-2-[(R)-(4-methylphenyl)sulfinyl]acetamide

C11H15NO2S — CID 10867970

IUPACN,N-dimethyl-2-[(R)-(4-methylphenyl)sulfinyl]acetamide
SMILESCc1ccc([S@](=O)CC(=O)N(C)C)cc1
InChIInChI=1S/C11H15NO2S/c1-9-4-6-10(7-5-9)15(14)8-11(13)12(2)3/h4-7H,8H2,1-3H3/t15-/m1/s1
InChIKeyMBBXNPFJTLOVFQ-OAHLLOKOSA-N
MW225.31 g/mol
LogP1.19
Rot. Bonds3

About N,N-dimethyl-2-[(R)-(4-methylphenyl)sulfinyl]acetamide

N,N-dimethyl-2-[(R)-(4-methylphenyl)sulfinyl]acetamide (PubChem CID 10867970) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N,N-dimethyl-2-[(R)-(4-methylphenyl)sulfinyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(R)-(4-methylphenyl)sulfinyl]acetamide
PubChem CID10867970
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN,N-dimethyl-2-[(R)-(4-methylphenyl)sulfinyl]acetamide
SMILESCc1ccc([S@](=O)CC(=O)N(C)C)cc1
InChIInChI=1S/C11H15NO2S/c1-9-4-6-10(7-5-9)15(14)8-11(13)12(2)3/h4-7H,8H2,1-3H3/t15-/m1/s1
InChIKeyMBBXNPFJTLOVFQ-OAHLLOKOSA-N
XLogP1.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzenesulfinyl)-N,N-dimethylacetamide
CID 25183887
2-[(S)-(4-methylphenyl)sulfinyl]acetic acid
CID 54403067
N-(2-cyanoethyl)-N-methyl-2-(4-methylphenyl)sulfinylacetamide
CID 64691480
methyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate
CID 10751029
1-chloro-3-(4-methylphenyl)sulfinylpropan-2-one
CID 13495347
6-hydroxy-5-(hydroxymethyl)-1-(4-methylphenyl)sulfinylhexan-2-one
CID 100916295
1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanone
CID 12729207
N,N-dimethyl-2-(4-methylphenyl)acetamide
CID 4048798
1-(2,5-dimethylthiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone
CID 64636296
methyl 6-[(S)-(4-methylphenyl)sulfinyl]-5-oxohexanoate
CID 14889052
4-[2-(4-methylphenyl)sulfinylacetyl]benzonitrile
CID 14380227
1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone
CID 64636293

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(R)-(4-methylphenyl)sulfinyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(R)-(4-methylphenyl)sulfinyl]acetamide (CID 10867970) is N,N-dimethyl-2-[(R)-(4-methylphenyl)sulfinyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(R)-(4-methylphenyl)sulfinyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(R)-(4-methylphenyl)sulfinyl]acetamide is Cc1ccc([S@](=O)CC(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-[(R)-(4-methylphenyl)sulfinyl]acetamide?
The InChIKey is MBBXNPFJTLOVFQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-9-4-6-10(7-5-9)15(14)8-11(13)12(2)3/h4-7H,8H2,1-3H3/t15-/m1/s1.
What are the key properties of N,N-dimethyl-2-[(R)-(4-methylphenyl)sulfinyl]acetamide?
N,N-dimethyl-2-[(R)-(4-methylphenyl)sulfinyl]acetamide has a molecular weight of 225.31 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(R)-(4-methylphenyl)sulfinyl]acetamide is sourced from PubChem (CID 10867970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).