2-amino-N-(2-benzylsulfinylethyl)-2-methylpropanamide

C13H20N2O2S — CID 119321854

IUPAC2-amino-N-(2-benzylsulfinylethyl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)NCCS(=O)Cc1ccccc1
InChIInChI=1S/C13H20N2O2S/c1-13(2,14)12(16)15-8-9-18(17)10-11-6-4-3-5-7-11/h3-7H,8-10,14H2,1-2H3,(H,15,16)
InChIKeyQOLNNZRTJRUCME-UHFFFAOYSA-N
MW268.38 g/mol
LogP0.79
Rot. Bonds6

About 2-amino-N-(2-benzylsulfinylethyl)-2-methylpropanamide

2-amino-N-(2-benzylsulfinylethyl)-2-methylpropanamide (PubChem CID 119321854) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-amino-N-(2-benzylsulfinylethyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-benzylsulfinylethyl)-2-methylpropanamide
PubChem CID119321854
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-amino-N-(2-benzylsulfinylethyl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)NCCS(=O)Cc1ccccc1
InChIInChI=1S/C13H20N2O2S/c1-13(2,14)12(16)15-8-9-18(17)10-11-6-4-3-5-7-11/h3-7H,8-10,14H2,1-2H3,(H,15,16)
InChIKeyQOLNNZRTJRUCME-UHFFFAOYSA-N
XLogP0.79
TPSA72.19 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 ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-benzylsulfinylethyl)-2-phenylpropanamide
CID 120592045
N-[2-[(R)-benzylsulfinyl]ethyl]-4-methylbenzamide
CID 95619655
N-[2-[(R)-benzylsulfinyl]ethyl]-3,3,3-trifluoropropanamide
CID 97082580
1-(2-benzylsulfinylethyl)-3-[(4-methylphenyl)methyl]urea
CID 56787573
2-amino-2-methyl-N-(5-phenylpentyl)propanamide
CID 119317062
2-amino-2-methyl-N-(5-phenylpentyl)propanamide;hydrochloride
CID 119317061
4-(2-benzylsulfinylethylcarbamoylamino)butanoic acid
CID 122002686
N-[2-[(S)-benzylsulfinyl]ethyl]-N'-(2-methylphenyl)oxamide
CID 95770934
1-(2-benzylsulfinylethyl)-2-propylguanidine;hydroiodide
CID 111807841
1-(2-benzylsulfinylethyl)-2-methyl-3-propylguanidine;hydroiodide
CID 111763420
2-(2-benzylsulfinylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 119184717
2-amino-2-methyl-N-(4-phenylmethoxybutyl)propanamide
CID 119311846

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-benzylsulfinylethyl)-2-methylpropanamide?
The IUPAC name of 2-amino-N-(2-benzylsulfinylethyl)-2-methylpropanamide (CID 119321854) is 2-amino-N-(2-benzylsulfinylethyl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(2-benzylsulfinylethyl)-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(2-benzylsulfinylethyl)-2-methylpropanamide is CC(C)(N)C(=O)NCCS(=O)Cc1ccccc1.
What is the InChIKey of 2-amino-N-(2-benzylsulfinylethyl)-2-methylpropanamide?
The InChIKey is QOLNNZRTJRUCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-13(2,14)12(16)15-8-9-18(17)10-11-6-4-3-5-7-11/h3-7H,8-10,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-(2-benzylsulfinylethyl)-2-methylpropanamide?
2-amino-N-(2-benzylsulfinylethyl)-2-methylpropanamide has a molecular weight of 268.38 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-benzylsulfinylethyl)-2-methylpropanamide is sourced from PubChem (CID 119321854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).