1-(2-methoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol

C13H21NO3S — CID 106989080

IUPAC1-(2-methoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol
SMILESCOCCOCC(O)CNc1ccc(SC)cc1
InChIInChI=1S/C13H21NO3S/c1-16-7-8-17-10-12(15)9-14-11-3-5-13(18-2)6-4-11/h3-6,12,14-15H,7-10H2,1-2H3
InChIKeyWOXLZTQXMVHKRY-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.84
Rot. Bonds9

About 1-(2-methoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol

1-(2-methoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol (PubChem CID 106989080) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol
PubChem CID106989080
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name1-(2-methoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol
SMILESCOCCOCC(O)CNc1ccc(SC)cc1
InChIInChI=1S/C13H21NO3S/c1-16-7-8-17-10-12(15)9-14-11-3-5-13(18-2)6-4-11/h3-6,12,14-15H,7-10H2,1-2H3
InChIKeyWOXLZTQXMVHKRY-UHFFFAOYSA-N
XLogP1.84
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-(4-methylsulfanylanilino)propan-2-ol
CID 63931302
1-(2-ethoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol
CID 60897868
1-hexoxy-3-(4-methylsulfanylanilino)propan-2-ol
CID 60898444
1-(3-fluoro-4-methylanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989211
methyl 3-hydroxy-4-(4-methylsulfanylanilino)butanoate
CID 115123225
1-[4-fluoro-3-(trifluoromethyl)anilino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989570
1-(2-methoxyethoxy)-3-(naphthalen-2-ylamino)propan-2-ol
CID 106989395
3-hydroxy-4-(4-methylsulfanylanilino)butanoic acid
CID 103232546
1-methoxy-3-(3-methylsulfanylanilino)propan-2-ol
CID 63928358
1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989238
1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989154
(2R)-1-methoxy-3-(4-methylanilino)propan-2-ol
CID 1078645

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol (CID 106989080) is 1-(2-methoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol is COCCOCC(O)CNc1ccc(SC)cc1.
What is the InChIKey of 1-(2-methoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol?
The InChIKey is WOXLZTQXMVHKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-16-7-8-17-10-12(15)9-14-11-3-5-13(18-2)6-4-11/h3-6,12,14-15H,7-10H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol?
1-(2-methoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol has a molecular weight of 271.38 g/mol, XLogP of 1.84, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol is sourced from PubChem (CID 106989080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).