2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline

C12H18N2O2S — CID 102882565

IUPAC2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline
SMILESCc1ccc(N2CCS(=O)(=O)CC2C)cc1N
InChIInChI=1S/C12H18N2O2S/c1-9-3-4-11(7-12(9)13)14-5-6-17(15,16)8-10(14)2/h3-4,7,10H,5-6,8,13H2,1-2H3
InChIKeyIIHIPFUQQFREAB-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.20
Rot. Bonds1

About 2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline

2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline (PubChem CID 102882565) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline.

Molecular Properties

Compound Name2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline
PubChem CID102882565
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline
SMILESCc1ccc(N2CCS(=O)(=O)CC2C)cc1N
InChIInChI=1S/C12H18N2O2S/c1-9-3-4-11(7-12(9)13)14-5-6-17(15,16)8-10(14)2/h3-4,7,10H,5-6,8,13H2,1-2H3
InChIKeyIIHIPFUQQFREAB-UHFFFAOYSA-N
XLogP1.20
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline
CID 102882558
5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylaniline
CID 43164169
1-[2-chloro-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanone
CID 102883913
2-(1-hydroxyethyl)-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol
CID 102884585
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid
CID 102883871
N-(3-amino-4-methylphenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 102882757
5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-nitrobenzonitrile
CID 102883397
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5-(trifluoromethyl)aniline
CID 102882511
ethyl 3-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)benzoate
CID 102885804
2-[1-(ethylamino)ethyl]-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol
CID 102883981
1-(3-amino-4-methylphenyl)-3,5-dimethylpyrrolidin-2-one
CID 56983848
1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
CID 102883952

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline?
The IUPAC name of 2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline (CID 102882565) is 2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline.
What is the SMILES notation for 2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline?
The canonical SMILES for 2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline is Cc1ccc(N2CCS(=O)(=O)CC2C)cc1N.
What is the InChIKey of 2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline?
The InChIKey is IIHIPFUQQFREAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-3-4-11(7-12(9)13)14-5-6-17(15,16)8-10(14)2/h3-4,7,10H,5-6,8,13H2,1-2H3.
What are the key properties of 2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline?
2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline has a molecular weight of 254.35 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline is sourced from PubChem (CID 102882565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).