2-[1-amino-1-(4-methoxyphenyl)propan-2-yl]sulfanylacetamide

C12H18N2O2S — CID 114231462

IUPAC2-[1-amino-1-(4-methoxyphenyl)propan-2-yl]sulfanylacetamide
SMILESCOc1ccc(C(N)C(C)SCC(N)=O)cc1
InChIInChI=1S/C12H18N2O2S/c1-8(17-7-11(13)15)12(14)9-3-5-10(16-2)6-4-9/h3-6,8,12H,7,14H2,1-2H3,(H2,13,15)
InChIKeyMLYLMGMCHUUKPE-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.30
Rot. Bonds6

About 2-[1-amino-1-(4-methoxyphenyl)propan-2-yl]sulfanylacetamide

2-[1-amino-1-(4-methoxyphenyl)propan-2-yl]sulfanylacetamide (PubChem CID 114231462) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[1-amino-1-(4-methoxyphenyl)propan-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[1-amino-1-(4-methoxyphenyl)propan-2-yl]sulfanylacetamide
PubChem CID114231462
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-[1-amino-1-(4-methoxyphenyl)propan-2-yl]sulfanylacetamide
SMILESCOc1ccc(C(N)C(C)SCC(N)=O)cc1
InChIInChI=1S/C12H18N2O2S/c1-8(17-7-11(13)15)12(14)9-3-5-10(16-2)6-4-9/h3-6,8,12H,7,14H2,1-2H3,(H2,13,15)
InChIKeyMLYLMGMCHUUKPE-UHFFFAOYSA-N
XLogP1.30
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-(4-methoxyphenyl)-2-methylpropanamide
CID 67167673
methyl (2R,3S)-2,3-diamino-3-(4-methoxyphenyl)propanoate
CID 135055623
2-amino-2-(4-methoxyphenyl)acetamide
CID 14569003
(2S)-2-amino-2-(4-methoxyphenyl)acetamide
CID 54341108
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
2-[[5-[1-(4-methoxyphenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 43884407
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
(1S,2R)-1-amino-1-(4-methoxyphenyl)-4-methylpentan-2-ol;hydrochloride
CID 171161991
ethyl (3R)-3-amino-2-fluoro-3-(4-methoxyphenyl)propanoate;hydrochloride
CID 171239902
(1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
CID 90478708
(1R,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
CID 10707410
2-[[4-ethyl-5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17306996

Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-1-(4-methoxyphenyl)propan-2-yl]sulfanylacetamide?
The IUPAC name of 2-[1-amino-1-(4-methoxyphenyl)propan-2-yl]sulfanylacetamide (CID 114231462) is 2-[1-amino-1-(4-methoxyphenyl)propan-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[1-amino-1-(4-methoxyphenyl)propan-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[1-amino-1-(4-methoxyphenyl)propan-2-yl]sulfanylacetamide is COc1ccc(C(N)C(C)SCC(N)=O)cc1.
What is the InChIKey of 2-[1-amino-1-(4-methoxyphenyl)propan-2-yl]sulfanylacetamide?
The InChIKey is MLYLMGMCHUUKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8(17-7-11(13)15)12(14)9-3-5-10(16-2)6-4-9/h3-6,8,12H,7,14H2,1-2H3,(H2,13,15).
What are the key properties of 2-[1-amino-1-(4-methoxyphenyl)propan-2-yl]sulfanylacetamide?
2-[1-amino-1-(4-methoxyphenyl)propan-2-yl]sulfanylacetamide has a molecular weight of 254.35 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-amino-1-(4-methoxyphenyl)propan-2-yl]sulfanylacetamide is sourced from PubChem (CID 114231462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).