1-(2-methoxyethoxy)-3-[(4-methylsulfonylphenyl)methylamino]propan-2-ol

C14H23NO5S — CID 106989780

IUPAC1-(2-methoxyethoxy)-3-[(4-methylsulfonylphenyl)methylamino]propan-2-ol
SMILESCOCCOCC(O)CNCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO5S/c1-19-7-8-20-11-13(16)10-15-9-12-3-5-14(6-4-12)21(2,17)18/h3-6,13,15-16H,7-11H2,1-2H3
InChIKeyCGSJWAJBIHCZKB-UHFFFAOYSA-N
MW317.41 g/mol
LogP0.20
Rot. Bonds10

About 1-(2-methoxyethoxy)-3-[(4-methylsulfonylphenyl)methylamino]propan-2-ol

1-(2-methoxyethoxy)-3-[(4-methylsulfonylphenyl)methylamino]propan-2-ol (PubChem CID 106989780) has the molecular formula C14H23NO5S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-[(4-methylsulfonylphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-[(4-methylsulfonylphenyl)methylamino]propan-2-ol
PubChem CID106989780
Molecular FormulaC14H23NO5S
Molecular Weight317.41 g/mol
Exact Mass317.13
IUPAC Name1-(2-methoxyethoxy)-3-[(4-methylsulfonylphenyl)methylamino]propan-2-ol
SMILESCOCCOCC(O)CNCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO5S/c1-19-7-8-20-11-13(16)10-15-9-12-3-5-14(6-4-12)21(2,17)18/h3-6,13,15-16H,7-11H2,1-2H3
InChIKeyCGSJWAJBIHCZKB-UHFFFAOYSA-N
XLogP0.20
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989015
1-[(4-methylsulfonylphenyl)methylamino]-3-phenylpropan-2-ol
CID 23060817
1-(2-ethoxyethoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632375
1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol
CID 107263166
1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol
CID 166178913
N-[4-[[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]methyl]phenyl]methanesulfonamide;hydrochloride
CID 67689935
1-butoxy-3-(4-methylsulfonylanilino)propan-2-ol
CID 107262488
2-(2-methoxyethylamino)-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride
CID 119706515
1-[[4-(aminomethyl)phenyl]methylamino]-3-butoxypropan-2-ol
CID 101292365
1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol
CID 106990539
4-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]phenol
CID 114331765
1-[(5-bromo-2-fluorophenyl)methylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989579

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-[(4-methylsulfonylphenyl)methylamino]propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-[(4-methylsulfonylphenyl)methylamino]propan-2-ol (CID 106989780) is 1-(2-methoxyethoxy)-3-[(4-methylsulfonylphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-[(4-methylsulfonylphenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-[(4-methylsulfonylphenyl)methylamino]propan-2-ol is COCCOCC(O)CNCc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-(2-methoxyethoxy)-3-[(4-methylsulfonylphenyl)methylamino]propan-2-ol?
The InChIKey is CGSJWAJBIHCZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5S/c1-19-7-8-20-11-13(16)10-15-9-12-3-5-14(6-4-12)21(2,17)18/h3-6,13,15-16H,7-11H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)-3-[(4-methylsulfonylphenyl)methylamino]propan-2-ol?
1-(2-methoxyethoxy)-3-[(4-methylsulfonylphenyl)methylamino]propan-2-ol has a molecular weight of 317.41 g/mol, XLogP of 0.20, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-[(4-methylsulfonylphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 106989780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).