N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide

C12H18N2O2S — CID 119382103

IUPACN-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SC(C)C(=O)NCCN)cc1
InChIInChI=1S/C12H18N2O2S/c1-9(12(15)14-8-7-13)17-11-5-3-10(16-2)4-6-11/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyQDRDOWZAXZIZGY-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.25
Rot. Bonds6

About N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide

N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 119382103) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID119382103
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SC(C)C(=O)NCCN)cc1
InChIInChI=1S/C12H18N2O2S/c1-9(12(15)14-8-7-13)17-11-5-3-10(16-2)4-6-11/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyQDRDOWZAXZIZGY-UHFFFAOYSA-N
XLogP1.25
TPSA64.35 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 ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 132760074
N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43876418
(2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide
CID 38016340
ethyl 3-[2-(4-methoxyphenyl)sulfanylpropanoylamino]propanoate
CID 51093901
ethyl 3-[[(2S)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]propanoate
CID 94809358
N-(2-amino-2-methylpropyl)-2-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride
CID 119625878
N-(2-aminoethyl)-2-phenylsulfanylpropanamide
CID 119384370
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 951517
(2R)-2-(4-methoxyphenyl)sulfanyl-N-methylpropanamide
CID 30378344
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 51546951
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 30400150
(2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 28632770

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide (CID 119382103) is N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(SC(C)C(=O)NCCN)cc1.
What is the InChIKey of N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is QDRDOWZAXZIZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9(12(15)14-8-7-13)17-11-5-3-10(16-2)4-6-11/h3-6,9H,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 254.35 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 119382103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).