1-(2-fluorophenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol

C14H20FNO3S — CID 102886646

IUPAC1-(2-fluorophenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
SMILESCC1CS(=O)(=O)CCN1CCC(O)c1ccccc1F
InChIInChI=1S/C14H20FNO3S/c1-11-10-20(18,19)9-8-16(11)7-6-14(17)12-4-2-3-5-13(12)15/h2-5,11,14,17H,6-10H2,1H3
InChIKeyLIJFNSHRFTWCNV-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.37
Rot. Bonds4

About 1-(2-fluorophenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol

1-(2-fluorophenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol (PubChem CID 102886646) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
PubChem CID102886646
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name1-(2-fluorophenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
SMILESCC1CS(=O)(=O)CCN1CCC(O)c1ccccc1F
InChIInChI=1S/C14H20FNO3S/c1-11-10-20(18,19)9-8-16(11)7-6-14(17)12-4-2-3-5-13(12)15/h2-5,11,14,17H,6-10H2,1H3
InChIKeyLIJFNSHRFTWCNV-UHFFFAOYSA-N
XLogP1.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
The IUPAC name of 1-(2-fluorophenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol (CID 102886646) is 1-(2-fluorophenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
The canonical SMILES for 1-(2-fluorophenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol is CC1CS(=O)(=O)CCN1CCC(O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
The InChIKey is LIJFNSHRFTWCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-11-10-20(18,19)9-8-16(11)7-6-14(17)12-4-2-3-5-13(12)15/h2-5,11,14,17H,6-10H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
1-(2-fluorophenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol has a molecular weight of 301.38 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol is sourced from PubChem (CID 102886646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).