2-(4-amino-2-methoxyphenyl)sulfanylpropanamide

C10H14N2O2S — CID 79822587

IUPAC2-(4-amino-2-methoxyphenyl)sulfanylpropanamide
SMILESCOc1cc(N)ccc1SC(C)C(N)=O
InChIInChI=1S/C10H14N2O2S/c1-6(10(12)13)15-9-4-3-7(11)5-8(9)14-2/h3-6H,11H2,1-2H3,(H2,12,13)
InChIKeyIWLPCZGPAFQQID-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.24
Rot. Bonds4

About 2-(4-amino-2-methoxyphenyl)sulfanylpropanamide

2-(4-amino-2-methoxyphenyl)sulfanylpropanamide (PubChem CID 79822587) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(4-amino-2-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name2-(4-amino-2-methoxyphenyl)sulfanylpropanamide
PubChem CID79822587
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-(4-amino-2-methoxyphenyl)sulfanylpropanamide
SMILESCOc1cc(N)ccc1SC(C)C(N)=O
InChIInChI=1S/C10H14N2O2S/c1-6(10(12)13)15-9-4-3-7(11)5-8(9)14-2/h3-6H,11H2,1-2H3,(H2,12,13)
InChIKeyIWLPCZGPAFQQID-UHFFFAOYSA-N
XLogP1.24
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-2-fluorophenyl)sulfanylpropanamide
CID 43303751
3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylpropanamide
CID 79829901
2-(4-amino-2-methoxyphenyl)sulfanyl-N-pentan-2-ylpropanamide
CID 79829742
2-(4-amino-2-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 79830536
3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylbutanehydrazide
CID 79830633
5-[1-(4-amino-2-methoxyphenyl)sulfanylethyl]furan-2-carboxylic acid
CID 79829982
propan-2-yl 2-(4-amino-2-methoxyphenyl)sulfanylacetate
CID 79823041
(2S)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 9046479
2-(4-amino-2-methoxyphenyl)propanoic acid
CID 141079881
methyl 2-(4-amino-2-bromophenyl)sulfanylpropanoate
CID 82841524
4-methoxy-3-propan-2-yloxyaniline
CID 16785912
2-[2-[(4-amino-2-methoxyphenyl)sulfanylmethyl]phenyl]acetic acid
CID 115461036

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of 2-(4-amino-2-methoxyphenyl)sulfanylpropanamide (CID 79822587) is 2-(4-amino-2-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for 2-(4-amino-2-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for 2-(4-amino-2-methoxyphenyl)sulfanylpropanamide is COc1cc(N)ccc1SC(C)C(N)=O.
What is the InChIKey of 2-(4-amino-2-methoxyphenyl)sulfanylpropanamide?
The InChIKey is IWLPCZGPAFQQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-6(10(12)13)15-9-4-3-7(11)5-8(9)14-2/h3-6H,11H2,1-2H3,(H2,12,13).
What are the key properties of 2-(4-amino-2-methoxyphenyl)sulfanylpropanamide?
2-(4-amino-2-methoxyphenyl)sulfanylpropanamide has a molecular weight of 226.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 79822587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).