4-[(3-phenylphenyl)methyl]-1,4-thiazinane 1,1-dioxide

C17H19NO2S — CID 75470875

IUPAC4-[(3-phenylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C17H19NO2S/c19-21(20)11-9-18(10-12-21)14-15-5-4-8-17(13-15)16-6-2-1-3-7-16/h1-8,13H,9-12,14H2
InChIKeyVSWLCQUIIJRYNC-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.58
Rot. Bonds3

About 4-[(3-phenylphenyl)methyl]-1,4-thiazinane 1,1-dioxide

4-[(3-phenylphenyl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 75470875) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-[(3-phenylphenyl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(3-phenylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID75470875
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name4-[(3-phenylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C17H19NO2S/c19-21(20)11-9-18(10-12-21)14-15-5-4-8-17(13-15)16-6-2-1-3-7-16/h1-8,13H,9-12,14H2
InChIKeyVSWLCQUIIJRYNC-UHFFFAOYSA-N
XLogP2.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-[4-(difluoromethyl)phenyl]phenyl]methyl]-1,4-thiazinane 1,1-dioxide
CID 166240137
4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide
CID 3325305
3-cyclobutyl-1-[[4-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]phenyl]methyl]-4-hydroxyimidazol-2-one
CID 91498119
4,13-dibenzyl-1,1-dioxo-1λ6-thia-4,7,10,13-tetrazacyclopentadecane-8,9-dione
CID 11113478
but-2-enedioic acid;1-phenyl-4-[(3-phenylphenyl)methyl]piperazine
CID 70248909
4,14-dibenzyl-1,1-dioxo-1λ6-thia-4,7,11,14-tetrazacyclohexadecane-8,10-dione
CID 10929024
bis(4-benzyl-1,4-thiazinane 1,1-dioxide);ethanol;hexane;methane;propane
CID 158163662
4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol
CID 139355118
N-(2-amino-2-phenylethyl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;dihydrochloride
CID 119529003
1-methyl-4-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 166864415
4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboxylic acid
CID 63883208
2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]acetic acid
CID 105345699

Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenylphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(3-phenylphenyl)methyl]-1,4-thiazinane 1,1-dioxide (CID 75470875) is 4-[(3-phenylphenyl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(3-phenylphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(3-phenylphenyl)methyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(Cc2cccc(-c3ccccc3)c2)CC1.
What is the InChIKey of 4-[(3-phenylphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is VSWLCQUIIJRYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-21(20)11-9-18(10-12-21)14-15-5-4-8-17(13-15)16-6-2-1-3-7-16/h1-8,13H,9-12,14H2.
What are the key properties of 4-[(3-phenylphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
4-[(3-phenylphenyl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 301.41 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-phenylphenyl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 75470875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).