4-(3-fluoro-2-nitrophenyl)-1,4-thiazinane 1-oxide

C10H11FN2O3S — CID 62689125

IUPAC4-(3-fluoro-2-nitrophenyl)-1,4-thiazinane 1-oxide
SMILESO=[N+]([O-])c1c(F)cccc1N1CCS(=O)CC1
InChIInChI=1S/C10H11FN2O3S/c11-8-2-1-3-9(10(8)13(14)15)12-4-6-17(16)7-5-12/h1-3H,4-7H2
InChIKeyWXEACUMPMHPYFP-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.30
Rot. Bonds2

About 4-(3-fluoro-2-nitrophenyl)-1,4-thiazinane 1-oxide

4-(3-fluoro-2-nitrophenyl)-1,4-thiazinane 1-oxide (PubChem CID 62689125) has the molecular formula C10H11FN2O3S and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-(3-fluoro-2-nitrophenyl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(3-fluoro-2-nitrophenyl)-1,4-thiazinane 1-oxide
PubChem CID62689125
Molecular FormulaC10H11FN2O3S
Molecular Weight258.27 g/mol
Exact Mass258.05
IUPAC Name4-(3-fluoro-2-nitrophenyl)-1,4-thiazinane 1-oxide
SMILESO=[N+]([O-])c1c(F)cccc1N1CCS(=O)CC1
InChIInChI=1S/C10H11FN2O3S/c11-8-2-1-3-9(10(8)13(14)15)12-4-6-17(16)7-5-12/h1-3H,4-7H2
InChIKeyWXEACUMPMHPYFP-UHFFFAOYSA-N
XLogP1.30
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-chloro-2-nitrophenyl)-1,4-thiazinane 1-oxide
CID 104838904
1-(3-fluoro-2-nitrophenyl)piperazine
CID 53255788
4-(3-fluoro-2-nitrophenyl)morpholine
CID 53255500
4,4-diethyl-1-(3-fluoro-2-nitrophenyl)piperidine
CID 63549434
4-cyclohexyloxy-1-(3-fluoro-2-nitrophenyl)piperidine
CID 133278337
2-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]acetamide
CID 47389784
1-[1-(3-fluoro-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 62689473
(3R)-1-(3-fluoro-2-nitrophenyl)-3-methylpiperazine
CID 104976022
1-(3-fluoro-2-nitrophenyl)-4-(4-fluorophenoxy)piperidine
CID 133345786
4-[1-(3-fluoro-2-nitrophenyl)pyrrolidin-3-yl]morpholine
CID 63171297
2-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]-2-phenylacetamide
CID 60579372
2-[4-(3-fluoro-2-nitrophenyl)-1,4-diazepan-1-yl]acetic acid
CID 62824669

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-nitrophenyl)-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(3-fluoro-2-nitrophenyl)-1,4-thiazinane 1-oxide (CID 62689125) is 4-(3-fluoro-2-nitrophenyl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(3-fluoro-2-nitrophenyl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(3-fluoro-2-nitrophenyl)-1,4-thiazinane 1-oxide is O=[N+]([O-])c1c(F)cccc1N1CCS(=O)CC1.
What is the InChIKey of 4-(3-fluoro-2-nitrophenyl)-1,4-thiazinane 1-oxide?
The InChIKey is WXEACUMPMHPYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3S/c11-8-2-1-3-9(10(8)13(14)15)12-4-6-17(16)7-5-12/h1-3H,4-7H2.
What are the key properties of 4-(3-fluoro-2-nitrophenyl)-1,4-thiazinane 1-oxide?
4-(3-fluoro-2-nitrophenyl)-1,4-thiazinane 1-oxide has a molecular weight of 258.27 g/mol, XLogP of 1.30, 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-nitrophenyl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 62689125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).