2-amino-4-(4-fluorophenyl)sulfanyl-2-methylbutan-1-ol

C11H16FNOS — CID 64805755

IUPAC2-amino-4-(4-fluorophenyl)sulfanyl-2-methylbutan-1-ol
SMILESCC(N)(CO)CCSc1ccc(F)cc1
InChIInChI=1S/C11H16FNOS/c1-11(13,8-14)6-7-15-10-4-2-9(12)3-5-10/h2-5,14H,6-8,13H2,1H3
InChIKeyAEHBQWYTZFUBBD-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.02
Rot. Bonds5

About 2-amino-4-(4-fluorophenyl)sulfanyl-2-methylbutan-1-ol

2-amino-4-(4-fluorophenyl)sulfanyl-2-methylbutan-1-ol (PubChem CID 64805755) has the molecular formula C11H16FNOS and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)sulfanyl-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)sulfanyl-2-methylbutan-1-ol
PubChem CID64805755
Molecular FormulaC11H16FNOS
Molecular Weight229.32 g/mol
Exact Mass229.09
IUPAC Name2-amino-4-(4-fluorophenyl)sulfanyl-2-methylbutan-1-ol
SMILESCC(N)(CO)CCSc1ccc(F)cc1
InChIInChI=1S/C11H16FNOS/c1-11(13,8-14)6-7-15-10-4-2-9(12)3-5-10/h2-5,14H,6-8,13H2,1H3
InChIKeyAEHBQWYTZFUBBD-UHFFFAOYSA-N
XLogP2.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)sulfanyl-2-methylbutan-1-ol?
The IUPAC name of 2-amino-4-(4-fluorophenyl)sulfanyl-2-methylbutan-1-ol (CID 64805755) is 2-amino-4-(4-fluorophenyl)sulfanyl-2-methylbutan-1-ol.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)sulfanyl-2-methylbutan-1-ol?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)sulfanyl-2-methylbutan-1-ol is CC(N)(CO)CCSc1ccc(F)cc1.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)sulfanyl-2-methylbutan-1-ol?
The InChIKey is AEHBQWYTZFUBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNOS/c1-11(13,8-14)6-7-15-10-4-2-9(12)3-5-10/h2-5,14H,6-8,13H2,1H3.
What are the key properties of 2-amino-4-(4-fluorophenyl)sulfanyl-2-methylbutan-1-ol?
2-amino-4-(4-fluorophenyl)sulfanyl-2-methylbutan-1-ol has a molecular weight of 229.32 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)sulfanyl-2-methylbutan-1-ol is sourced from PubChem (CID 64805755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).