3-amino-N-[1-(4-ethylsulfanylphenyl)ethyl]propanamide

C13H20N2OS — CID 119318049

IUPAC3-amino-N-[1-(4-ethylsulfanylphenyl)ethyl]propanamide
SMILESCCSc1ccc(C(C)NC(=O)CCN)cc1
InChIInChI=1S/C13H20N2OS/c1-3-17-12-6-4-11(5-7-12)10(2)15-13(16)8-9-14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyRWNKNTVVIUSAOW-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.32
Rot. Bonds6

About 3-amino-N-[1-(4-ethylsulfanylphenyl)ethyl]propanamide

3-amino-N-[1-(4-ethylsulfanylphenyl)ethyl]propanamide (PubChem CID 119318049) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 3-amino-N-[1-(4-ethylsulfanylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[1-(4-ethylsulfanylphenyl)ethyl]propanamide
PubChem CID119318049
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name3-amino-N-[1-(4-ethylsulfanylphenyl)ethyl]propanamide
SMILESCCSc1ccc(C(C)NC(=O)CCN)cc1
InChIInChI=1S/C13H20N2OS/c1-3-17-12-6-4-11(5-7-12)10(2)15-13(16)8-9-14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyRWNKNTVVIUSAOW-UHFFFAOYSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(1-phenylethyl)propanamide
CID 16784228
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
2-(4-aminophenyl)-N-[1-(4-ethylsulfanylphenyl)ethyl]acetamide;hydrochloride
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N-[(1R)-1-(4-ethylsulfanylphenyl)ethyl]-2-(methanesulfonamido)acetamide
CID 95296945
(2S)-3-amino-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2-phenylpropanamide
CID 124683704
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119285649
5-amino-N-[1-(4-chlorophenyl)ethyl]-4-methylpentanamide
CID 82011641
N-[1-(4-ethylsulfanylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119774161
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
N-[1-(4-ethylsulfanylphenyl)ethyl]-2-morpholin-4-ylacetamide
CID 24840182
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-ethylsulfanylphenyl)ethyl]propanamide?
The IUPAC name of 3-amino-N-[1-(4-ethylsulfanylphenyl)ethyl]propanamide (CID 119318049) is 3-amino-N-[1-(4-ethylsulfanylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[1-(4-ethylsulfanylphenyl)ethyl]propanamide?
The canonical SMILES for 3-amino-N-[1-(4-ethylsulfanylphenyl)ethyl]propanamide is CCSc1ccc(C(C)NC(=O)CCN)cc1.
What is the InChIKey of 3-amino-N-[1-(4-ethylsulfanylphenyl)ethyl]propanamide?
The InChIKey is RWNKNTVVIUSAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-3-17-12-6-4-11(5-7-12)10(2)15-13(16)8-9-14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-[1-(4-ethylsulfanylphenyl)ethyl]propanamide?
3-amino-N-[1-(4-ethylsulfanylphenyl)ethyl]propanamide has a molecular weight of 252.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-ethylsulfanylphenyl)ethyl]propanamide is sourced from PubChem (CID 119318049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).