2-[1-amino-1-(4-ethylphenyl)propan-2-yl]sulfinylacetamide

C13H20N2O2S — CID 114232001

IUPAC2-[1-amino-1-(4-ethylphenyl)propan-2-yl]sulfinylacetamide
SMILESCCc1ccc(C(N)C(C)S(=O)CC(N)=O)cc1
InChIInChI=1S/C13H20N2O2S/c1-3-10-4-6-11(7-5-10)13(15)9(2)18(17)8-12(14)16/h4-7,9,13H,3,8,15H2,1-2H3,(H2,14,16)
InChIKeyZONPEODGRFWROS-UHFFFAOYSA-N
MW268.38 g/mol
LogP0.87
Rot. Bonds6

About 2-[1-amino-1-(4-ethylphenyl)propan-2-yl]sulfinylacetamide

2-[1-amino-1-(4-ethylphenyl)propan-2-yl]sulfinylacetamide (PubChem CID 114232001) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[1-amino-1-(4-ethylphenyl)propan-2-yl]sulfinylacetamide.

Molecular Properties

Compound Name2-[1-amino-1-(4-ethylphenyl)propan-2-yl]sulfinylacetamide
PubChem CID114232001
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[1-amino-1-(4-ethylphenyl)propan-2-yl]sulfinylacetamide
SMILESCCc1ccc(C(N)C(C)S(=O)CC(N)=O)cc1
InChIInChI=1S/C13H20N2O2S/c1-3-10-4-6-11(7-5-10)13(15)9(2)18(17)8-12(14)16/h4-7,9,13H,3,8,15H2,1-2H3,(H2,14,16)
InChIKeyZONPEODGRFWROS-UHFFFAOYSA-N
XLogP0.87
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-2-pentylsulfinylpropan-1-amine
CID 107758744
1-(4-ethylphenyl)-2-(3-methoxypropylsulfinyl)propan-1-amine
CID 64658616
2-(benzenesulfinyl)-1-(4-ethylphenyl)propan-1-amine
CID 64660013
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110
1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-amine
CID 64657896
(1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride
CID 171270161
1-(4-ethylphenyl)-2-(2-fluorophenyl)sulfinylpropan-1-amine
CID 64658519
3-amino-3-(4-ethylphenyl)-2-(methylamino)propanoic acid
CID 116946846
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
1-(4-ethylphenyl)-2-methylpropane-1,3-diamine
CID 116933036
(1R)-1-(4-ethylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171211240
methyl 2-[amino-(4-ethylphenyl)methyl]butanoate
CID 116945955

Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-1-(4-ethylphenyl)propan-2-yl]sulfinylacetamide?
The IUPAC name of 2-[1-amino-1-(4-ethylphenyl)propan-2-yl]sulfinylacetamide (CID 114232001) is 2-[1-amino-1-(4-ethylphenyl)propan-2-yl]sulfinylacetamide.
What is the SMILES notation for 2-[1-amino-1-(4-ethylphenyl)propan-2-yl]sulfinylacetamide?
The canonical SMILES for 2-[1-amino-1-(4-ethylphenyl)propan-2-yl]sulfinylacetamide is CCc1ccc(C(N)C(C)S(=O)CC(N)=O)cc1.
What is the InChIKey of 2-[1-amino-1-(4-ethylphenyl)propan-2-yl]sulfinylacetamide?
The InChIKey is ZONPEODGRFWROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-10-4-6-11(7-5-10)13(15)9(2)18(17)8-12(14)16/h4-7,9,13H,3,8,15H2,1-2H3,(H2,14,16).
What are the key properties of 2-[1-amino-1-(4-ethylphenyl)propan-2-yl]sulfinylacetamide?
2-[1-amino-1-(4-ethylphenyl)propan-2-yl]sulfinylacetamide has a molecular weight of 268.38 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-amino-1-(4-ethylphenyl)propan-2-yl]sulfinylacetamide is sourced from PubChem (CID 114232001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).