2-(2-aminobutylsulfinyl)-N-phenylacetamide

C12H18N2O2S — CID 81193786

IUPAC2-(2-aminobutylsulfinyl)-N-phenylacetamide
SMILESCCC(N)CS(=O)CC(=O)Nc1ccccc1
InChIInChI=1S/C12H18N2O2S/c1-2-10(13)8-17(16)9-12(15)14-11-6-4-3-5-7-11/h3-7,10H,2,8-9,13H2,1H3,(H,14,15)
InChIKeyNNMDXGUENPDDEH-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.11
Rot. Bonds6

About 2-(2-aminobutylsulfinyl)-N-phenylacetamide

2-(2-aminobutylsulfinyl)-N-phenylacetamide (PubChem CID 81193786) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(2-aminobutylsulfinyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-aminobutylsulfinyl)-N-phenylacetamide
PubChem CID81193786
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-(2-aminobutylsulfinyl)-N-phenylacetamide
SMILESCCC(N)CS(=O)CC(=O)Nc1ccccc1
InChIInChI=1S/C12H18N2O2S/c1-2-10(13)8-17(16)9-12(15)14-11-6-4-3-5-7-11/h3-7,10H,2,8-9,13H2,1H3,(H,14,15)
InChIKeyNNMDXGUENPDDEH-UHFFFAOYSA-N
XLogP1.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-phenylpentanamide
CID 79006475
2-(2-aminobutylsulfinyl)-N-tert-butylacetamide
CID 81188701
2-(2-aminopropylsulfinyl)-N-(3-chlorophenyl)acetamide
CID 81188971
4-amino-N-phenyldodecanamide
CID 154099763
3-ethylsulfinyl-N-phenylpropanamide
CID 143299200
2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide
CID 95169335
ethane;methane;N-phenylpropanamide
CID 159778408
3-[2-(3-methoxyanilino)-2-oxoethyl]sulfinyl-2-methylpropanoic acid
CID 64915166
(4R)-4-hydroxy-N-phenylhexanamide
CID 155936166
2-[methyl(1-methylsulfinylpropan-2-yl)amino]-N-phenylacetamide
CID 75521176
2-(2-amino-4-methylphenyl)sulfinyl-N-phenylacetamide
CID 81181244
ethyl 3-anilino-3-oxopropanoate
CID 3016808

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutylsulfinyl)-N-phenylacetamide?
The IUPAC name of 2-(2-aminobutylsulfinyl)-N-phenylacetamide (CID 81193786) is 2-(2-aminobutylsulfinyl)-N-phenylacetamide.
What is the SMILES notation for 2-(2-aminobutylsulfinyl)-N-phenylacetamide?
The canonical SMILES for 2-(2-aminobutylsulfinyl)-N-phenylacetamide is CCC(N)CS(=O)CC(=O)Nc1ccccc1.
What is the InChIKey of 2-(2-aminobutylsulfinyl)-N-phenylacetamide?
The InChIKey is NNMDXGUENPDDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-2-10(13)8-17(16)9-12(15)14-11-6-4-3-5-7-11/h3-7,10H,2,8-9,13H2,1H3,(H,14,15).
What are the key properties of 2-(2-aminobutylsulfinyl)-N-phenylacetamide?
2-(2-aminobutylsulfinyl)-N-phenylacetamide has a molecular weight of 254.35 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutylsulfinyl)-N-phenylacetamide is sourced from PubChem (CID 81193786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).