2-hydroxy-3-[(4-methylsulfanylphenyl)methylamino]propanamide

C11H16N2O2S — CID 106170579

IUPAC2-hydroxy-3-[(4-methylsulfanylphenyl)methylamino]propanamide
SMILESCSc1ccc(CNCC(O)C(N)=O)cc1
InChIInChI=1S/C11H16N2O2S/c1-16-9-4-2-8(3-5-9)6-13-7-10(14)11(12)15/h2-5,10,13-14H,6-7H2,1H3,(H2,12,15)
InChIKeyQCBOHRRHQPVMEW-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.34
Rot. Bonds6

About 2-hydroxy-3-[(4-methylsulfanylphenyl)methylamino]propanamide

2-hydroxy-3-[(4-methylsulfanylphenyl)methylamino]propanamide (PubChem CID 106170579) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-hydroxy-3-[(4-methylsulfanylphenyl)methylamino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[(4-methylsulfanylphenyl)methylamino]propanamide
PubChem CID106170579
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-hydroxy-3-[(4-methylsulfanylphenyl)methylamino]propanamide
SMILESCSc1ccc(CNCC(O)C(N)=O)cc1
InChIInChI=1S/C11H16N2O2S/c1-16-9-4-2-8(3-5-9)6-13-7-10(14)11(12)15/h2-5,10,13-14H,6-7H2,1H3,(H2,12,15)
InChIKeyQCBOHRRHQPVMEW-UHFFFAOYSA-N
XLogP0.34
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-[(4-methoxyphenyl)methylamino]propanamide
CID 106170843
2-hydroxy-3-[[4-(methoxymethyl)phenyl]methylamino]propanamide
CID 106170747
2-amino-3-[(4-methylsulfanylphenyl)methylamino]propan-1-ol
CID 115120590
3-hydroxy-4-[(4-methylsulfanylphenyl)methylamino]butanoic acid
CID 115123036
3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
CID 106171272
3-amino-2-hydroxy-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 115180561
3-[(3-bromo-4-fluorophenyl)methylamino]-2-hydroxypropanamide
CID 106171977
2-hydroxy-3-[(4-pentoxyphenyl)methylamino]propanamide
CID 106171142
2-hydroxy-3-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 106171242
2-ethyl-N'-[(4-methylsulfanylphenyl)methyl]propane-1,3-diamine
CID 115251485
2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide
CID 106170960
3-[(1-ethylpyrrol-3-yl)methylamino]-2-hydroxypropanamide
CID 106171023

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(4-methylsulfanylphenyl)methylamino]propanamide?
The IUPAC name of 2-hydroxy-3-[(4-methylsulfanylphenyl)methylamino]propanamide (CID 106170579) is 2-hydroxy-3-[(4-methylsulfanylphenyl)methylamino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[(4-methylsulfanylphenyl)methylamino]propanamide?
The canonical SMILES for 2-hydroxy-3-[(4-methylsulfanylphenyl)methylamino]propanamide is CSc1ccc(CNCC(O)C(N)=O)cc1.
What is the InChIKey of 2-hydroxy-3-[(4-methylsulfanylphenyl)methylamino]propanamide?
The InChIKey is QCBOHRRHQPVMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-16-9-4-2-8(3-5-9)6-13-7-10(14)11(12)15/h2-5,10,13-14H,6-7H2,1H3,(H2,12,15).
What are the key properties of 2-hydroxy-3-[(4-methylsulfanylphenyl)methylamino]propanamide?
2-hydroxy-3-[(4-methylsulfanylphenyl)methylamino]propanamide has a molecular weight of 240.33 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(4-methylsulfanylphenyl)methylamino]propanamide is sourced from PubChem (CID 106170579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).