4-(2-chloro-6-nitrophenyl)-1,4-thiazinane 1-oxide

C10H11ClN2O3S — CID 163241609

IUPAC4-(2-chloro-6-nitrophenyl)-1,4-thiazinane 1-oxide
SMILESO=[N+]([O-])c1cccc(Cl)c1N1CCS(=O)CC1
InChIInChI=1S/C10H11ClN2O3S/c11-8-2-1-3-9(13(14)15)10(8)12-4-6-17(16)7-5-12/h1-3H,4-7H2
InChIKeyXSPUZNMPYMJYRQ-UHFFFAOYSA-N
MW274.73 g/mol
LogP1.82
Rot. Bonds2

About 4-(2-chloro-6-nitrophenyl)-1,4-thiazinane 1-oxide

4-(2-chloro-6-nitrophenyl)-1,4-thiazinane 1-oxide (PubChem CID 163241609) has the molecular formula C10H11ClN2O3S and a molecular weight of 274.73 g/mol. Its IUPAC name is 4-(2-chloro-6-nitrophenyl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(2-chloro-6-nitrophenyl)-1,4-thiazinane 1-oxide
PubChem CID163241609
Molecular FormulaC10H11ClN2O3S
Molecular Weight274.73 g/mol
Exact Mass274.02
IUPAC Name4-(2-chloro-6-nitrophenyl)-1,4-thiazinane 1-oxide
SMILESO=[N+]([O-])c1cccc(Cl)c1N1CCS(=O)CC1
InChIInChI=1S/C10H11ClN2O3S/c11-8-2-1-3-9(13(14)15)10(8)12-4-6-17(16)7-5-12/h1-3H,4-7H2
InChIKeyXSPUZNMPYMJYRQ-UHFFFAOYSA-N
XLogP1.82
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 51.82
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

4,4-dichloro-1-(2-chloro-6-nitrophenyl)piperidine
CID 137333212
1-(2-chloro-6-nitrophenyl)-4,4-difluoropiperidine
CID 163241693
4-(3-chloro-2-nitrophenyl)-1,4-thiazinane 1-oxide
CID 104838904
1-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 3740167
[1-(2-chloro-6-nitrophenyl)piperidin-4-yl] carbamate
CID 175117649
(4-chloro-3-nitrophenyl)-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]methanone
CID 22778253
1-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]hexan-1-one
CID 2958691
2,3-dichloro-N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]benzamide
CID 23097126
[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-(3-nitro-4-piperidin-1-ylphenyl)methanone
CID 4000572
[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
CID 22778376
1-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-2-(4-ethylphenoxy)ethanone
CID 19631259
4-(3-fluoro-2-nitrophenyl)-1,4-thiazinane 1-oxide
CID 62689125

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-nitrophenyl)-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(2-chloro-6-nitrophenyl)-1,4-thiazinane 1-oxide (CID 163241609) is 4-(2-chloro-6-nitrophenyl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(2-chloro-6-nitrophenyl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(2-chloro-6-nitrophenyl)-1,4-thiazinane 1-oxide is O=[N+]([O-])c1cccc(Cl)c1N1CCS(=O)CC1.
What is the InChIKey of 4-(2-chloro-6-nitrophenyl)-1,4-thiazinane 1-oxide?
The InChIKey is XSPUZNMPYMJYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3S/c11-8-2-1-3-9(13(14)15)10(8)12-4-6-17(16)7-5-12/h1-3H,4-7H2.
What are the key properties of 4-(2-chloro-6-nitrophenyl)-1,4-thiazinane 1-oxide?
4-(2-chloro-6-nitrophenyl)-1,4-thiazinane 1-oxide has a molecular weight of 274.73 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-nitrophenyl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 163241609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).