4-(2-bromophenyl)sulfonyl-1,4-thiazinane 1-oxide

C10H12BrNO3S2 — CID 54975760

IUPAC4-(2-bromophenyl)sulfonyl-1,4-thiazinane 1-oxide
SMILESO=S1CCN(S(=O)(=O)c2ccccc2Br)CC1
InChIInChI=1S/C10H12BrNO3S2/c11-9-3-1-2-4-10(9)17(14,15)12-5-7-16(13)8-6-12/h1-4H,5-8H2
InChIKeyAFDATACBJJSUSI-UHFFFAOYSA-N
MW338.25 g/mol
LogP1.20
Rot. Bonds2

About 4-(2-bromophenyl)sulfonyl-1,4-thiazinane 1-oxide

4-(2-bromophenyl)sulfonyl-1,4-thiazinane 1-oxide (PubChem CID 54975760) has the molecular formula C10H12BrNO3S2 and a molecular weight of 338.25 g/mol. Its IUPAC name is 4-(2-bromophenyl)sulfonyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(2-bromophenyl)sulfonyl-1,4-thiazinane 1-oxide
PubChem CID54975760
Molecular FormulaC10H12BrNO3S2
Molecular Weight338.25 g/mol
Exact Mass336.94
IUPAC Name4-(2-bromophenyl)sulfonyl-1,4-thiazinane 1-oxide
SMILESO=S1CCN(S(=O)(=O)c2ccccc2Br)CC1
InChIInChI=1S/C10H12BrNO3S2/c11-9-3-1-2-4-10(9)17(14,15)12-5-7-16(13)8-6-12/h1-4H,5-8H2
InChIKeyAFDATACBJJSUSI-UHFFFAOYSA-N
XLogP1.20
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromophenyl)sulfonylpiperazine-1-carbaldehyde
CID 3858856
1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine
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4-(bromomethyl)-1-(2-bromophenyl)sulfonylpiperidine
CID 80668441
1-(2-bromophenyl)sulfonyl-1,4-diazepane
CID 28973443
1-(2-bromophenyl)sulfonyl-4-methyl-1,4-diazepane
CID 2468104
[1-(2-bromophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963995
2-bromo-4-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline
CID 114625488
1-(2-bromophenyl)sulfonylpiperidine-3-carbaldehyde
CID 63846227
[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 55476348
3-(2-bromophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 90313011
2-[1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121178865
1-benzyl-4-(2-bromophenyl)sulfonyl-1,4-diazepane
CID 3819879

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)sulfonyl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(2-bromophenyl)sulfonyl-1,4-thiazinane 1-oxide (CID 54975760) is 4-(2-bromophenyl)sulfonyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(2-bromophenyl)sulfonyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(2-bromophenyl)sulfonyl-1,4-thiazinane 1-oxide is O=S1CCN(S(=O)(=O)c2ccccc2Br)CC1.
What is the InChIKey of 4-(2-bromophenyl)sulfonyl-1,4-thiazinane 1-oxide?
The InChIKey is AFDATACBJJSUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3S2/c11-9-3-1-2-4-10(9)17(14,15)12-5-7-16(13)8-6-12/h1-4H,5-8H2.
What are the key properties of 4-(2-bromophenyl)sulfonyl-1,4-thiazinane 1-oxide?
4-(2-bromophenyl)sulfonyl-1,4-thiazinane 1-oxide has a molecular weight of 338.25 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)sulfonyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 54975760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).