[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine

C11H16N2O2S — CID 43164176

IUPAC[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine
SMILESNCc1ccccc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H16N2O2S/c12-9-10-3-1-2-4-11(10)13-5-7-16(14,15)8-6-13/h1-4H,5-9,12H2
InChIKeyCQWOKWWMZDBUOD-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.38
Rot. Bonds2

About [2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine

[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine (PubChem CID 43164176) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is [2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine
PubChem CID43164176
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine
SMILESNCc1ccccc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H16N2O2S/c12-9-10-3-1-2-4-11(10)13-5-7-16(14,15)8-6-13/h1-4H,5-9,12H2
InChIKeyCQWOKWWMZDBUOD-UHFFFAOYSA-N
XLogP0.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine
CID 43581765
(2-piperazin-1-ylphenyl)methanamine;hydrochloride
CID 174363608
1-[2-(aminomethyl)phenyl]pyrrolidin-3-one
CID 115018241
2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine
CID 114065973
4-(2-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide
CID 59865822
5-(2-ethylphenyl)-1,2,5-thiadiazepane 1,1-dioxide
CID 117014346
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-one
CID 112677314
(1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-ol
CID 113358948
2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine
CID 114057385
[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-4-pyridinyl]methanamine
CID 105389165
[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,6-dimethyl-3-pyridinyl]methanamine
CID 81051404
[2-(3-ethylazetidin-1-yl)phenyl]methanamine
CID 79676976

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine?
The IUPAC name of [2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine (CID 43164176) is [2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine.
What is the SMILES notation for [2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine?
The canonical SMILES for [2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine is NCc1ccccc1N1CCS(=O)(=O)CC1.
What is the InChIKey of [2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine?
The InChIKey is CQWOKWWMZDBUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c12-9-10-3-1-2-4-11(10)13-5-7-16(14,15)8-6-13/h1-4H,5-9,12H2.
What are the key properties of [2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine?
[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine has a molecular weight of 240.33 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine is sourced from PubChem (CID 43164176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).