1-(4-fluorophenyl)sulfinyl-3-(2-methoxyethylamino)propan-2-ol

C12H18FNO3S — CID 113318016

IUPAC1-(4-fluorophenyl)sulfinyl-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)CS(=O)c1ccc(F)cc1
InChIInChI=1S/C12H18FNO3S/c1-17-7-6-14-8-11(15)9-18(16)12-4-2-10(13)3-5-12/h2-5,11,14-15H,6-9H2,1H3
InChIKeyVDCUZHQWPZWKBY-UHFFFAOYSA-N
MW275.34 g/mol
LogP0.53
Rot. Bonds8

About 1-(4-fluorophenyl)sulfinyl-3-(2-methoxyethylamino)propan-2-ol

1-(4-fluorophenyl)sulfinyl-3-(2-methoxyethylamino)propan-2-ol (PubChem CID 113318016) has the molecular formula C12H18FNO3S and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfinyl-3-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfinyl-3-(2-methoxyethylamino)propan-2-ol
PubChem CID113318016
Molecular FormulaC12H18FNO3S
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC Name1-(4-fluorophenyl)sulfinyl-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)CS(=O)c1ccc(F)cc1
InChIInChI=1S/C12H18FNO3S/c1-17-7-6-14-8-11(15)9-18(16)12-4-2-10(13)3-5-12/h2-5,11,14-15H,6-9H2,1H3
InChIKeyVDCUZHQWPZWKBY-UHFFFAOYSA-N
XLogP0.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 50.53
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

1-(4-chlorophenyl)sulfinyl-3-(2-methoxyethylamino)propan-2-ol
CID 113318003
1-(4-fluorophenyl)sulfinyl-3-(propylamino)propan-2-ol
CID 113318017
1-(3-bromophenyl)sulfinyl-3-(2-methoxyethylamino)propan-2-ol
CID 113317991
(2R)-1-chloro-3-[(R)-(4-fluorophenyl)sulfinyl]propan-2-ol
CID 139090415
1-(3-chloro-4-fluorophenyl)sulfinyl-3-(propylamino)propan-2-ol
CID 115477531
1-fluoro-3-(2-methoxyethylamino)propan-2-ol
CID 131182194
1-(2-methoxyethylamino)butan-2-ol
CID 60885611
1-[(2-chlorophenyl)methylsulfinyl]-3-(2-methoxyethylamino)propan-2-ol
CID 103291641
1-(2,5-difluorophenyl)sulfanyl-3-(2-methoxyethylamino)propan-2-ol
CID 113317862
2-(4-fluorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
CID 63792276
1-(3,5-difluorophenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 113317787
N-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 119748317

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfinyl-3-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 1-(4-fluorophenyl)sulfinyl-3-(2-methoxyethylamino)propan-2-ol (CID 113318016) is 1-(4-fluorophenyl)sulfinyl-3-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)sulfinyl-3-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)sulfinyl-3-(2-methoxyethylamino)propan-2-ol is COCCNCC(O)CS(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfinyl-3-(2-methoxyethylamino)propan-2-ol?
The InChIKey is VDCUZHQWPZWKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3S/c1-17-7-6-14-8-11(15)9-18(16)12-4-2-10(13)3-5-12/h2-5,11,14-15H,6-9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfinyl-3-(2-methoxyethylamino)propan-2-ol?
1-(4-fluorophenyl)sulfinyl-3-(2-methoxyethylamino)propan-2-ol has a molecular weight of 275.34 g/mol, XLogP of 0.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfinyl-3-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 113318016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).