2-(2-bromo-4-methylphenyl)thiazinane 1,1-dioxide

C11H14BrNO2S — CID 82094857

IUPAC2-(2-bromo-4-methylphenyl)thiazinane 1,1-dioxide
SMILESCc1ccc(N2CCCCS2(=O)=O)c(Br)c1
InChIInChI=1S/C11H14BrNO2S/c1-9-4-5-11(10(12)8-9)13-6-2-3-7-16(13,14)15/h4-5,8H,2-3,6-7H2,1H3
InChIKeyIYFPDPLAXNIIGA-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.69
Rot. Bonds1

About 2-(2-bromo-4-methylphenyl)thiazinane 1,1-dioxide

2-(2-bromo-4-methylphenyl)thiazinane 1,1-dioxide (PubChem CID 82094857) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenyl)thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenyl)thiazinane 1,1-dioxide
PubChem CID82094857
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name2-(2-bromo-4-methylphenyl)thiazinane 1,1-dioxide
SMILESCc1ccc(N2CCCCS2(=O)=O)c(Br)c1
InChIInChI=1S/C11H14BrNO2S/c1-9-4-5-11(10(12)8-9)13-6-2-3-7-16(13,14)15/h4-5,8H,2-3,6-7H2,1H3
InChIKeyIYFPDPLAXNIIGA-UHFFFAOYSA-N
XLogP2.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenyl)thiazinane 1,1-dioxide
CID 82084355
2-(2-bromo-4-fluorophenyl)-1,2-thiazolidine 1,1-dioxide
CID 28939241
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenol
CID 142614209
3-[2-(1,1-dioxothiazinan-2-yl)-5-methylphenyl]prop-2-yn-1-ol
CID 116816620
3-bromo-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzonitrile
CID 107796158
4-bromo-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylaniline
CID 104815331
4-(1,1-dioxothiazinan-2-yl)-3-methylbenzoic acid
CID 16642520
2-[2-bromo-5-(trifluoromethyl)phenyl]thiazinane 1,1-dioxide
CID 114043039
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylaniline
CID 16642516
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methylbenzenesulfonamide
CID 112505484
ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide
CID 166090798
1-[4-[4-(1,1-dioxothiazinan-2-yl)-3-methylbenzoyl]piperazin-1-yl]ethanone
CID 7685873

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenyl)thiazinane 1,1-dioxide?
The IUPAC name of 2-(2-bromo-4-methylphenyl)thiazinane 1,1-dioxide (CID 82094857) is 2-(2-bromo-4-methylphenyl)thiazinane 1,1-dioxide.
What is the SMILES notation for 2-(2-bromo-4-methylphenyl)thiazinane 1,1-dioxide?
The canonical SMILES for 2-(2-bromo-4-methylphenyl)thiazinane 1,1-dioxide is Cc1ccc(N2CCCCS2(=O)=O)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenyl)thiazinane 1,1-dioxide?
The InChIKey is IYFPDPLAXNIIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-9-4-5-11(10(12)8-9)13-6-2-3-7-16(13,14)15/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 2-(2-bromo-4-methylphenyl)thiazinane 1,1-dioxide?
2-(2-bromo-4-methylphenyl)thiazinane 1,1-dioxide has a molecular weight of 304.21 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenyl)thiazinane 1,1-dioxide is sourced from PubChem (CID 82094857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).