2-amino-N-(3-methylsulfinylphenyl)propanamide;hydrochloride

C10H15ClN2O2S — CID 119300630

IUPAC2-amino-N-(3-methylsulfinylphenyl)propanamide;hydrochloride
SMILESCC(N)C(=O)Nc1cccc(S(C)=O)c1.Cl
InChIInChI=1S/C10H14N2O2S.ClH/c1-7(11)10(13)12-8-4-3-5-9(6-8)15(2)14;/h3-7H,11H2,1-2H3,(H,12,13);1H
InChIKeyALABCDXXNUVYJA-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.13
Rot. Bonds3

About 2-amino-N-(3-methylsulfinylphenyl)propanamide;hydrochloride

2-amino-N-(3-methylsulfinylphenyl)propanamide;hydrochloride (PubChem CID 119300630) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is 2-amino-N-(3-methylsulfinylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3-methylsulfinylphenyl)propanamide;hydrochloride
PubChem CID119300630
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name2-amino-N-(3-methylsulfinylphenyl)propanamide;hydrochloride
SMILESCC(N)C(=O)Nc1cccc(S(C)=O)c1.Cl
InChIInChI=1S/C10H14N2O2S.ClH/c1-7(11)10(13)12-8-4-3-5-9(6-8)15(2)14;/h3-7H,11H2,1-2H3,(H,12,13);1H
InChIKeyALABCDXXNUVYJA-UHFFFAOYSA-N
XLogP1.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-(3-methylsulfinylphenyl)butanamide;hydrochloride
CID 119743912
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
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(2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfinylphenyl)butanamide
CID 119300627
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
2-amino-N-[3-(difluoromethyl)phenyl]propanamide;hydrochloride
CID 119314355
(2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 119305153
3-(2-aminopropanoylamino)benzamide
CID 61258270
(2S)-2-amino-N-(3-iodophenyl)propanamide
CID 28882940
2-(3-methylsulfinylanilino)-2-oxoacetic acid
CID 21442505
(2R)-2-amino-N-phenylpropanamide
CID 10607114
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methylsulfinylphenyl)propanamide;hydrochloride?
The IUPAC name of 2-amino-N-(3-methylsulfinylphenyl)propanamide;hydrochloride (CID 119300630) is 2-amino-N-(3-methylsulfinylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3-methylsulfinylphenyl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3-methylsulfinylphenyl)propanamide;hydrochloride is CC(N)C(=O)Nc1cccc(S(C)=O)c1.Cl.
What is the InChIKey of 2-amino-N-(3-methylsulfinylphenyl)propanamide;hydrochloride?
The InChIKey is ALABCDXXNUVYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S.ClH/c1-7(11)10(13)12-8-4-3-5-9(6-8)15(2)14;/h3-7H,11H2,1-2H3,(H,12,13);1H.
What are the key properties of 2-amino-N-(3-methylsulfinylphenyl)propanamide;hydrochloride?
2-amino-N-(3-methylsulfinylphenyl)propanamide;hydrochloride has a molecular weight of 262.76 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methylsulfinylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119300630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).