1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-methylmethanimine

C12H16N2O2S — CID 171514731

IUPAC1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-methylmethanimine
SMILESC/N=C/c1ccc(N2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C12H16N2O2S/c1-13-10-11-2-4-12(5-3-11)14-6-8-17(15,16)9-7-14/h2-5,10H,6-9H2,1H3/b13-10+
InChIKeyWWTSOADJNCIJKP-JLHYYAGUSA-N
MW252.34 g/mol
LogP0.97
Rot. Bonds2

About 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-methylmethanimine

1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-methylmethanimine (PubChem CID 171514731) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-methylmethanimine.

Molecular Properties

Compound Name1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-methylmethanimine
PubChem CID171514731
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-methylmethanimine
SMILESC/N=C/c1ccc(N2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C12H16N2O2S/c1-13-10-11-2-4-12(5-3-11)14-6-8-17(15,16)9-7-14/h2-5,10H,6-9H2,1H3/b13-10+
InChIKeyWWTSOADJNCIJKP-JLHYYAGUSA-N
XLogP0.97
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

carbon dioxide;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide
CID 160755106
4-(1-methylimino-1-oxo-1,4-thiazinan-4-yl)aniline
CID 171624051
N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]thiohydroxylamine
CID 167295048
N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63060590
2-cyano-3-[4-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]phenyl]prop-2-enoic acid
CID 90987422
3-phenyl-1,3-thiazolidine 1,1-dioxide
CID 90274724
5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylaniline
CID 43164169
4-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide
CID 147274255
N-[[4-(azetidin-1-yl)phenyl]methylidene]hydroxylamine
CID 141349940
4-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-1,4-thiazinane 1,1-dioxide
CID 86300184
[4-(4-methylpiperidin-1-yl)phenyl]methylidenehydrazine
CID 168530817
4-[(4-pyrrolidin-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 168512730

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-methylmethanimine?
The IUPAC name of 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-methylmethanimine (CID 171514731) is 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-methylmethanimine.
What is the SMILES notation for 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-methylmethanimine?
The canonical SMILES for 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-methylmethanimine is C/N=C/c1ccc(N2CCS(=O)(=O)CC2)cc1.
What is the InChIKey of 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-methylmethanimine?
The InChIKey is WWTSOADJNCIJKP-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-13-10-11-2-4-12(5-3-11)14-6-8-17(15,16)9-7-14/h2-5,10H,6-9H2,1H3/b13-10+.
What are the key properties of 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-methylmethanimine?
1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-methylmethanimine has a molecular weight of 252.34 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-methylmethanimine is sourced from PubChem (CID 171514731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).