N-methyl-4-(1-oxo-1,4-thiazinan-2-yl)aniline

C11H16N2OS — CID 71251094

IUPACN-methyl-4-(1-oxo-1,4-thiazinan-2-yl)aniline
SMILESCNc1ccc(C2CNCCS2=O)cc1
InChIInChI=1S/C11H16N2OS/c1-12-10-4-2-9(3-5-10)11-8-13-6-7-15(11)14/h2-5,11-13H,6-8H2,1H3
InChIKeyTVWXAQQBSJSCOH-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.12
Rot. Bonds2

About N-methyl-4-(1-oxo-1,4-thiazinan-2-yl)aniline

N-methyl-4-(1-oxo-1,4-thiazinan-2-yl)aniline (PubChem CID 71251094) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-methyl-4-(1-oxo-1,4-thiazinan-2-yl)aniline.

Molecular Properties

Compound NameN-methyl-4-(1-oxo-1,4-thiazinan-2-yl)aniline
PubChem CID71251094
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-methyl-4-(1-oxo-1,4-thiazinan-2-yl)aniline
SMILESCNc1ccc(C2CNCCS2=O)cc1
InChIInChI=1S/C11H16N2OS/c1-12-10-4-2-9(3-5-10)11-8-13-6-7-15(11)14/h2-5,11-13H,6-8H2,1H3
InChIKeyTVWXAQQBSJSCOH-UHFFFAOYSA-N
XLogP1.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-1,4-thiazinane 1-oxide
CID 82473465
2-(2,5-dimethylphenyl)-1,4-thiazinane 1-oxide
CID 82473239
4-[2,3-dimethyl-3-(1,4,7-triazonan-2-yl)butan-2-yl]-N-methylaniline;methanethione
CID 176949906
N-methylaniline;piperazine
CID 157393585
4-[(7S,11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-7-yl]-N-methylaniline;dihydrochloride
CID 70408466
4-(1,3-dioxol-2-yl)-N-methylaniline
CID 66706726
(2R)-2-(4-methyl-3-nitrophenyl)piperazine
CID 171194425
3-[4-(methylamino)phenyl]-3,4-dihydrochromen-2-one
CID 160784007
(2S)-2-(4-methyl-3-nitrophenyl)piperazine;hydrochloride
CID 171193790
N-(4-acetamidophenyl)piperazine-2-carboxamide
CID 63103626
tert-butyl N-(4-morpholin-2-ylphenyl)carbamate
CID 117446363
1-methyl-1-phenyl-3-[4-[(3S)-pyrrolidin-3-yl]phenyl]urea
CID 124566450

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1-oxo-1,4-thiazinan-2-yl)aniline?
The IUPAC name of N-methyl-4-(1-oxo-1,4-thiazinan-2-yl)aniline (CID 71251094) is N-methyl-4-(1-oxo-1,4-thiazinan-2-yl)aniline.
What is the SMILES notation for N-methyl-4-(1-oxo-1,4-thiazinan-2-yl)aniline?
The canonical SMILES for N-methyl-4-(1-oxo-1,4-thiazinan-2-yl)aniline is CNc1ccc(C2CNCCS2=O)cc1.
What is the InChIKey of N-methyl-4-(1-oxo-1,4-thiazinan-2-yl)aniline?
The InChIKey is TVWXAQQBSJSCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-12-10-4-2-9(3-5-10)11-8-13-6-7-15(11)14/h2-5,11-13H,6-8H2,1H3.
What are the key properties of N-methyl-4-(1-oxo-1,4-thiazinan-2-yl)aniline?
N-methyl-4-(1-oxo-1,4-thiazinan-2-yl)aniline has a molecular weight of 224.33 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1-oxo-1,4-thiazinan-2-yl)aniline is sourced from PubChem (CID 71251094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).