2-(1-aminopropan-2-ylsulfinyl)-N-(2-methylphenyl)acetamide

C12H18N2O2S — CID 81187833

IUPAC2-(1-aminopropan-2-ylsulfinyl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CS(=O)C(C)CN
InChIInChI=1S/C12H18N2O2S/c1-9-5-3-4-6-11(9)14-12(15)8-17(16)10(2)7-13/h3-6,10H,7-8,13H2,1-2H3,(H,14,15)
InChIKeySCBPDUMLACDGOF-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.03
Rot. Bonds5

About 2-(1-aminopropan-2-ylsulfinyl)-N-(2-methylphenyl)acetamide

2-(1-aminopropan-2-ylsulfinyl)-N-(2-methylphenyl)acetamide (PubChem CID 81187833) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(1-aminopropan-2-ylsulfinyl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-aminopropan-2-ylsulfinyl)-N-(2-methylphenyl)acetamide
PubChem CID81187833
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-(1-aminopropan-2-ylsulfinyl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CS(=O)C(C)CN
InChIInChI=1S/C12H18N2O2S/c1-9-5-3-4-6-11(9)14-12(15)8-17(16)10(2)7-13/h3-6,10H,7-8,13H2,1-2H3,(H,14,15)
InChIKeySCBPDUMLACDGOF-UHFFFAOYSA-N
XLogP1.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-methylanilino)-2-oxoethyl]sulfinylbutanoic acid
CID 66115295
2-(1-aminopropan-2-ylsulfinyl)-N-(2-chlorophenyl)acetamide
CID 81186906
2-(2-amino-3-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81188078
2-(1-aminopropan-2-ylsulfonyl)-N-(2-methylphenyl)acetamide
CID 81187980
2-(5-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81191402
2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81184334
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]acetamide
CID 60848997
4-hydroxy-N-(2-methylphenyl)pentanamide
CID 79017195
2-(1-aminopropan-2-ylsulfinyl)-N-tert-butylacetamide
CID 81187704
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
(3R)-N-(2-methylphenyl)-3-phenylbutanamide
CID 7946569
2-(1-hydroxypropan-2-ylamino)-N-(2-methylphenyl)acetamide
CID 43499948

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-ylsulfinyl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(1-aminopropan-2-ylsulfinyl)-N-(2-methylphenyl)acetamide (CID 81187833) is 2-(1-aminopropan-2-ylsulfinyl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(1-aminopropan-2-ylsulfinyl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(1-aminopropan-2-ylsulfinyl)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CS(=O)C(C)CN.
What is the InChIKey of 2-(1-aminopropan-2-ylsulfinyl)-N-(2-methylphenyl)acetamide?
The InChIKey is SCBPDUMLACDGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-5-3-4-6-11(9)14-12(15)8-17(16)10(2)7-13/h3-6,10H,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(1-aminopropan-2-ylsulfinyl)-N-(2-methylphenyl)acetamide?
2-(1-aminopropan-2-ylsulfinyl)-N-(2-methylphenyl)acetamide has a molecular weight of 254.35 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-ylsulfinyl)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 81187833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).