2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylpropanamide

C13H20N2O2S — CID 66348346

IUPAC2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylpropanamide
SMILESCOCCNCc1cccc(SC(C)C(N)=O)c1
InChIInChI=1S/C13H20N2O2S/c1-10(13(14)16)18-12-5-3-4-11(8-12)9-15-6-7-17-2/h3-5,8,10,15H,6-7,9H2,1-2H3,(H2,14,16)
InChIKeyZGZDTMLHVRSKOH-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.39
Rot. Bonds8

About 2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylpropanamide

2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylpropanamide (PubChem CID 66348346) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylpropanamide.

Molecular Properties

Compound Name2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylpropanamide
PubChem CID66348346
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylpropanamide
SMILESCOCCNCc1cccc(SC(C)C(N)=O)c1
InChIInChI=1S/C13H20N2O2S/c1-10(13(14)16)18-12-5-3-4-11(8-12)9-15-6-7-17-2/h3-5,8,10,15H,6-7,9H2,1-2H3,(H2,14,16)
InChIKeyZGZDTMLHVRSKOH-UHFFFAOYSA-N
XLogP1.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(propylaminomethyl)phenyl]sulfanylpropanamide
CID 66348073
2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylbutanoic acid
CID 66349116
N-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 66348149
2-methoxy-N-[[3-(1-phenylethylsulfanyl)phenyl]methyl]ethanamine
CID 66347565
2-methoxy-N-[[3-(3-methoxypropylsulfanyl)phenyl]methyl]ethanamine
CID 66348144
2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylcyclopentan-1-ol
CID 66349318
3-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanyl-N,N-dimethylpropanamide
CID 66349314
ethyl 2-[3-[(2-methylpropylamino)methyl]phenyl]sulfanylpropanoate
CID 66347161
2-methoxy-N-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine
CID 66348917
N-ethyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide
CID 66348230
N-[[3-(3,5-dimethylcyclohexyl)sulfanylphenyl]methyl]-2-methoxyethanamine
CID 66349500
2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63055739

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylpropanamide?
The IUPAC name of 2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylpropanamide (CID 66348346) is 2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylpropanamide.
What is the SMILES notation for 2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylpropanamide?
The canonical SMILES for 2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylpropanamide is COCCNCc1cccc(SC(C)C(N)=O)c1.
What is the InChIKey of 2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylpropanamide?
The InChIKey is ZGZDTMLHVRSKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(13(14)16)18-12-5-3-4-11(8-12)9-15-6-7-17-2/h3-5,8,10,15H,6-7,9H2,1-2H3,(H2,14,16).
What are the key properties of 2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylpropanamide?
2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylpropanamide has a molecular weight of 268.38 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylpropanamide is sourced from PubChem (CID 66348346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).