2-[(4-fluorophenyl)methyl]thiazinane 1,1-dioxide

C11H14FNO2S — CID 82130195

IUPAC2-[(4-fluorophenyl)methyl]thiazinane 1,1-dioxide
SMILESO=S1(=O)CCCCN1Cc1ccc(F)cc1
InChIInChI=1S/C11H14FNO2S/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-16(13,14)15/h3-6H,1-2,7-9H2
InChIKeyMGUAPRUNFKEXLN-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.75
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]thiazinane 1,1-dioxide

2-[(4-fluorophenyl)methyl]thiazinane 1,1-dioxide (PubChem CID 82130195) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]thiazinane 1,1-dioxide
PubChem CID82130195
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name2-[(4-fluorophenyl)methyl]thiazinane 1,1-dioxide
SMILESO=S1(=O)CCCCN1Cc1ccc(F)cc1
InChIInChI=1S/C11H14FNO2S/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-16(13,14)15/h3-6H,1-2,7-9H2
InChIKeyMGUAPRUNFKEXLN-UHFFFAOYSA-N
XLogP1.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide
CID 82132335
4-[(1,1-dioxothiazinan-2-yl)methyl]aniline
CID 83824828
2-[(4-propan-2-ylphenyl)methyl]thiazinane 1,1-dioxide
CID 82134036
[5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-fluorophenyl]methanamine
CID 107878764
2-[(2,6-dichlorophenyl)methyl]thiazinane 1,1-dioxide
CID 134095007
2-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)acetamide
CID 110687739
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-4-fluorobenzamide
CID 110720894
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
2-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 141184673
2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide
CID 166380566
5-benzyl-1,4,5-oxathiazocane 4,4-dioxide
CID 24816470
N-(4-fluorophenyl)-2-[6-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 46279725

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]thiazinane 1,1-dioxide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]thiazinane 1,1-dioxide (CID 82130195) is 2-[(4-fluorophenyl)methyl]thiazinane 1,1-dioxide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]thiazinane 1,1-dioxide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]thiazinane 1,1-dioxide is O=S1(=O)CCCCN1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]thiazinane 1,1-dioxide?
The InChIKey is MGUAPRUNFKEXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-16(13,14)15/h3-6H,1-2,7-9H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]thiazinane 1,1-dioxide?
2-[(4-fluorophenyl)methyl]thiazinane 1,1-dioxide has a molecular weight of 243.30 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]thiazinane 1,1-dioxide is sourced from PubChem (CID 82130195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).