4-(1-methylimino-1-oxo-1,4-thiazinan-4-yl)aniline

C11H17N3OS — CID 171624051

IUPAC4-(1-methylimino-1-oxo-1,4-thiazinan-4-yl)aniline
SMILESCN=S1(=O)CCN(c2ccc(N)cc2)CC1
InChIInChI=1S/C11H17N3OS/c1-13-16(15)8-6-14(7-9-16)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3
InChIKeyPAAQXAKIJSNKLG-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.19
Rot. Bonds1

About 4-(1-methylimino-1-oxo-1,4-thiazinan-4-yl)aniline

4-(1-methylimino-1-oxo-1,4-thiazinan-4-yl)aniline (PubChem CID 171624051) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-(1-methylimino-1-oxo-1,4-thiazinan-4-yl)aniline.

Molecular Properties

Compound Name4-(1-methylimino-1-oxo-1,4-thiazinan-4-yl)aniline
PubChem CID171624051
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name4-(1-methylimino-1-oxo-1,4-thiazinan-4-yl)aniline
SMILESCN=S1(=O)CCN(c2ccc(N)cc2)CC1
InChIInChI=1S/C11H17N3OS/c1-13-16(15)8-6-14(7-9-16)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3
InChIKeyPAAQXAKIJSNKLG-UHFFFAOYSA-N
XLogP1.19
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-methylmethanimine
CID 171514731
4-(azepan-1-yl)aniline;dihydrochloride
CID 16640674
4-(azepan-1-yl)aniline;hydrochloride
CID 6603137
4-(4,4-dimethylpiperazin-4-ium-1-yl)aniline
CID 18436406
4-piperazin-4-ium-1-ylaniline
CID 4608381
1-methyl-4-(4-nitrophenyl)piperazine;4-(4-methylpiperazin-1-yl)aniline
CID 69123468
4-(4-methylsulfonylpiperidin-1-yl)aniline
CID 152771530
4-(4-piperidin-1-ylphenyl)aniline
CID 45277459
1-(4-aminophenyl)-N,N-dimethylpiperidin-4-amine
CID 10889414
4-(4-fluoro-4-methylpiperidin-1-yl)aniline
CID 115025957
5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylaniline
CID 43164169
1-[4-(4-aminophenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 936774

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimino-1-oxo-1,4-thiazinan-4-yl)aniline?
The IUPAC name of 4-(1-methylimino-1-oxo-1,4-thiazinan-4-yl)aniline (CID 171624051) is 4-(1-methylimino-1-oxo-1,4-thiazinan-4-yl)aniline.
What is the SMILES notation for 4-(1-methylimino-1-oxo-1,4-thiazinan-4-yl)aniline?
The canonical SMILES for 4-(1-methylimino-1-oxo-1,4-thiazinan-4-yl)aniline is CN=S1(=O)CCN(c2ccc(N)cc2)CC1.
What is the InChIKey of 4-(1-methylimino-1-oxo-1,4-thiazinan-4-yl)aniline?
The InChIKey is PAAQXAKIJSNKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-13-16(15)8-6-14(7-9-16)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3.
What are the key properties of 4-(1-methylimino-1-oxo-1,4-thiazinan-4-yl)aniline?
4-(1-methylimino-1-oxo-1,4-thiazinan-4-yl)aniline has a molecular weight of 239.34 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimino-1-oxo-1,4-thiazinan-4-yl)aniline is sourced from PubChem (CID 171624051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).