N-(4-aminophenyl)-N-methyl-2-propan-2-ylsulfinylacetamide

C12H18N2O2S — CID 61289454

IUPACN-(4-aminophenyl)-N-methyl-2-propan-2-ylsulfinylacetamide
SMILESCC(C)S(=O)CC(=O)N(C)c1ccc(N)cc1
InChIInChI=1S/C12H18N2O2S/c1-9(2)17(16)8-12(15)14(3)11-6-4-10(13)5-7-11/h4-7,9H,8,13H2,1-3H3
InChIKeyCIBFJOZHIGCMLE-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.39
Rot. Bonds4

About N-(4-aminophenyl)-N-methyl-2-propan-2-ylsulfinylacetamide

N-(4-aminophenyl)-N-methyl-2-propan-2-ylsulfinylacetamide (PubChem CID 61289454) has the molecular formula C12H18N2O2S and a molecular weight of 254.36 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-methyl-2-propan-2-ylsulfinylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-methyl-2-propan-2-ylsulfinylacetamide
PubChem CID61289454
Molecular FormulaC12H18N2O2S
Molecular Weight254.36 g/mol
Exact Mass254.11
IUPAC NameN-(4-aminophenyl)-N-methyl-2-propan-2-ylsulfinylacetamide
SMILESCC(C)S(=O)CC(=O)N(C)c1ccc(N)cc1
InChIInChI=1S/C12H18N2O2S/c1-9(2)17(16)8-12(15)14(3)11-6-4-10(13)5-7-11/h4-7,9H,8,13H2,1-3H3
InChIKeyCIBFJOZHIGCMLE-UHFFFAOYSA-N
XLogP1.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-2-[ethyl(propan-2-yl)amino]-N-methylacetamide
CID 43375898
N-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide
CID 23506938
2-(4-aminophenyl)-N-methyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119807717
N-(4-aminophenyl)-3,3,3-trifluoro-N-methylpropanamide
CID 43114424
N-(4-aminophenyl)-N,2-dimethylbutanamide
CID 43114423
3-[[2-(4-amino-N-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106914693
N-(4-aminophenyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide
CID 43375942
N-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide
CID 43627611
N-(4-aminophenyl)-N-methyl-2-pentan-2-yloxyacetamide
CID 102980773
N-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide
CID 115166992
N-(4-aminophenyl)-N-methyl-2-thiophen-2-ylacetamide
CID 43114422
N-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide
CID 43376432

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-methyl-2-propan-2-ylsulfinylacetamide?
The IUPAC name of N-(4-aminophenyl)-N-methyl-2-propan-2-ylsulfinylacetamide (CID 61289454) is N-(4-aminophenyl)-N-methyl-2-propan-2-ylsulfinylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-N-methyl-2-propan-2-ylsulfinylacetamide?
The canonical SMILES for N-(4-aminophenyl)-N-methyl-2-propan-2-ylsulfinylacetamide is CC(C)S(=O)CC(=O)N(C)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-methyl-2-propan-2-ylsulfinylacetamide?
The InChIKey is CIBFJOZHIGCMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9(2)17(16)8-12(15)14(3)11-6-4-10(13)5-7-11/h4-7,9H,8,13H2,1-3H3.
What are the key properties of N-(4-aminophenyl)-N-methyl-2-propan-2-ylsulfinylacetamide?
N-(4-aminophenyl)-N-methyl-2-propan-2-ylsulfinylacetamide has a molecular weight of 254.36 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-methyl-2-propan-2-ylsulfinylacetamide is sourced from PubChem (CID 61289454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).