4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide

C10H13FN2O2S — CID 172880678

IUPAC4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ncccc2F)CC1
InChIInChI=1S/C10H13FN2O2S/c11-9-2-1-3-12-10(9)8-13-4-6-16(14,15)7-5-13/h1-3H,4-8H2
InChIKeyQLSQRJVCRAUQPE-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.45
Rot. Bonds2

About 4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide

4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 172880678) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID172880678
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Name4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ncccc2F)CC1
InChIInChI=1S/C10H13FN2O2S/c11-9-2-1-3-12-10(9)8-13-4-6-16(14,15)7-5-13/h1-3H,4-8H2
InChIKeyQLSQRJVCRAUQPE-UHFFFAOYSA-N
XLogP0.45
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine
CID 126752862
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
CID 62471359
N-[(4S,5S)-1-[(3-fluoro-2-pyridinyl)methyl]-5-hydroxyazepan-4-yl]acetamide
CID 110126967
4-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 166601575
4-(difluoromethyl)-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 171995248
2-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 166604960
4-[(6-iodo-3-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 134406111
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-fluoroaniline
CID 107347257
6-[(3-fluoro-2-pyridinyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 24917274
3-[(2-fluorophenyl)methyl]-7-[(3-fluoro-2-pyridinyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 167813716
1-(3-cyclopropyl-1,1-dioxo-1,4-thiazepan-4-yl)-2-(3-fluoro-2-pyridinyl)ethanone
CID 136567201
2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine
CID 114057385

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide (CID 172880678) is 4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(Cc2ncccc2F)CC1.
What is the InChIKey of 4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is QLSQRJVCRAUQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c11-9-2-1-3-12-10(9)8-13-4-6-16(14,15)7-5-13/h1-3H,4-8H2.
What are the key properties of 4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide?
4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 244.29 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 172880678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).