[(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methanol

C11H12BrNO3S — CID 51360542

IUPAC[(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methanol
SMILESO=S1(=O)C=C[C@@H](CO)N1Cc1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO3S/c12-10-3-1-9(2-4-10)7-13-11(8-14)5-6-17(13,15)16/h1-6,11,14H,7-8H2/t11-/m0/s1
InChIKeyFGVMPNSDOMXAMR-NSHDSACASA-N
MW318.19 g/mol
LogP1.47
Rot. Bonds3

About [(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methanol

[(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methanol (PubChem CID 51360542) has the molecular formula C11H12BrNO3S and a molecular weight of 318.19 g/mol. Its IUPAC name is [(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methanol
PubChem CID51360542
Molecular FormulaC11H12BrNO3S
Molecular Weight318.19 g/mol
Exact Mass316.97
IUPAC Name[(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methanol
SMILESO=S1(=O)C=C[C@@H](CO)N1Cc1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO3S/c12-10-3-1-9(2-4-10)7-13-11(8-14)5-6-17(13,15)16/h1-6,11,14H,7-8H2/t11-/m0/s1
InChIKeyFGVMPNSDOMXAMR-NSHDSACASA-N
XLogP1.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methanol with MolForge

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Related Compounds

N-[(2-bromophenyl)methyl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]ethenesulfonamide
CID 44142181
N-[(2-bromophenyl)methyl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]ethenesulfonamide
CID 44142180
(6S)-5-[(4-bromophenyl)methyl]-6-propyl-1,4,5-oxathiazepane 4,4-dioxide
CID 24816466
2-(4-Bromobenzyl)isothiazolidine 1,1-dioxide
CID 47176171
[(3S)-2-[(3-methylphenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methanol
CID 51360539
(6S)-5-[(4-bromophenyl)methyl]-6-propan-2-yl-1,4,5-oxathiazepane 4,4-dioxide
CID 25011375
(3S)-3-(4-bromophenyl)-2-ethyl-1,2-thiazolidine 1,1-dioxide
CID 164631360
N-[(2-bromophenyl)methyl]-N-(1-hydroxy-3-phenylpropan-2-yl)ethenesulfonamide
CID 73759356
N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)ethanesulfonamide
CID 111439949
N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)methanesulfonamide
CID 111439950
[5-[(3-Bromophenyl)methyl]-4,4-dioxo-1,4,5-oxathiazepan-6-yl]methanol
CID 60158422
N-[(2-bromophenyl)methyl]-N-(1-hydroxy-4-methylpentan-2-yl)ethenesulfonamide
CID 73758015

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methanol?
The IUPAC name of [(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methanol (CID 51360542) is [(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methanol.
What is the SMILES notation for [(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methanol?
The canonical SMILES for [(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methanol is O=S1(=O)C=C[C@@H](CO)N1Cc1ccc(Br)cc1.
What is the InChIKey of [(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methanol?
The InChIKey is FGVMPNSDOMXAMR-NSHDSACASA-N. The full InChI is InChI=1S/C11H12BrNO3S/c12-10-3-1-9(2-4-10)7-13-11(8-14)5-6-17(13,15)16/h1-6,11,14H,7-8H2/t11-/m0/s1.
What are the key properties of [(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methanol?
[(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methanol has a molecular weight of 318.19 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methanol is sourced from PubChem (CID 51360542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).