2-[(2-methoxy-5-methylphenyl)methyl]thiazinane 1,1-dioxide

C13H19NO3S — CID 82134338

IUPAC2-[(2-methoxy-5-methylphenyl)methyl]thiazinane 1,1-dioxide
SMILESCOc1ccc(C)cc1CN1CCCCS1(=O)=O
InChIInChI=1S/C13H19NO3S/c1-11-5-6-13(17-2)12(9-11)10-14-7-3-4-8-18(14,15)16/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyYHHYXDZIDYVCCY-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.93
Rot. Bonds3

About 2-[(2-methoxy-5-methylphenyl)methyl]thiazinane 1,1-dioxide

2-[(2-methoxy-5-methylphenyl)methyl]thiazinane 1,1-dioxide (PubChem CID 82134338) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)methyl]thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)methyl]thiazinane 1,1-dioxide
PubChem CID82134338
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-[(2-methoxy-5-methylphenyl)methyl]thiazinane 1,1-dioxide
SMILESCOc1ccc(C)cc1CN1CCCCS1(=O)=O
InChIInChI=1S/C13H19NO3S/c1-11-5-6-13(17-2)12(9-11)10-14-7-3-4-8-18(14,15)16/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyYHHYXDZIDYVCCY-UHFFFAOYSA-N
XLogP1.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methoxy-3-methylphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 82134337
ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
CID 144540102
4-methoxy-3-[[6-[(4-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]methyl]benzaldehyde
CID 46341886
3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-ethoxyaniline
CID 43619967
2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone
CID 60667529
2-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 63904119
1-(2-methoxy-5-methylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one
CID 79056851
ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate
CID 60670285
1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 47010589
[1-(1,1-dioxothian-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine
CID 105292010
9-[(2-methoxy-5-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64833057
1-[(2-methoxy-5-methylphenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 63258780

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)methyl]thiazinane 1,1-dioxide?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)methyl]thiazinane 1,1-dioxide (CID 82134338) is 2-[(2-methoxy-5-methylphenyl)methyl]thiazinane 1,1-dioxide.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)methyl]thiazinane 1,1-dioxide?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)methyl]thiazinane 1,1-dioxide is COc1ccc(C)cc1CN1CCCCS1(=O)=O.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)methyl]thiazinane 1,1-dioxide?
The InChIKey is YHHYXDZIDYVCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-11-5-6-13(17-2)12(9-11)10-14-7-3-4-8-18(14,15)16/h5-6,9H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-[(2-methoxy-5-methylphenyl)methyl]thiazinane 1,1-dioxide?
2-[(2-methoxy-5-methylphenyl)methyl]thiazinane 1,1-dioxide has a molecular weight of 269.37 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)methyl]thiazinane 1,1-dioxide is sourced from PubChem (CID 82134338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).