1-(5-fluoro-2-pyridinyl)-2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol

C14H21FN2O3S — CID 102886634

IUPAC1-(5-fluoro-2-pyridinyl)-2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
SMILESCC(CN1CCS(=O)(=O)CC1C)C(O)c1ccc(F)cn1
InChIInChI=1S/C14H21FN2O3S/c1-10(14(18)13-4-3-12(15)7-16-13)8-17-5-6-21(19,20)9-11(17)2/h3-4,7,10-11,14,18H,5-6,8-9H2,1-2H3
InChIKeyYECUKENCTNWSEY-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.01
Rot. Bonds4

About 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol

1-(5-fluoro-2-pyridinyl)-2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol (PubChem CID 102886634) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
PubChem CID102886634
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name1-(5-fluoro-2-pyridinyl)-2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
SMILESCC(CN1CCS(=O)(=O)CC1C)C(O)c1ccc(F)cn1
InChIInChI=1S/C14H21FN2O3S/c1-10(14(18)13-4-3-12(15)7-16-13)8-17-5-6-21(19,20)9-11(17)2/h3-4,7,10-11,14,18H,5-6,8-9H2,1-2H3
InChIKeyYECUKENCTNWSEY-UHFFFAOYSA-N
XLogP1.01
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol with MolForge

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Related Compounds

1-(5-fluoro-2-pyridinyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 102886648
3-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941523
1-(5-fluoro-2-pyridinyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 102886440
3-(2-ethylpyrrolidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 112586348
3-(4,4-dimethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941620
2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 103878593
1-(5-fluoro-2-pyridinyl)-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-ol
CID 106589121
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-ol
CID 102886658
3-(2,5-dimethylmorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine
CID 115941213
1-(2-fluorophenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 102886646
3-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-amine
CID 102884252
1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 115941597

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol (CID 102886634) is 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol is CC(CN1CCS(=O)(=O)CC1C)C(O)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
The InChIKey is YECUKENCTNWSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-10(14(18)13-4-3-12(15)7-16-13)8-17-5-6-21(19,20)9-11(17)2/h3-4,7,10-11,14,18H,5-6,8-9H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
1-(5-fluoro-2-pyridinyl)-2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol has a molecular weight of 316.40 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol is sourced from PubChem (CID 102886634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).