[2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine

C11H15ClN2O2S — CID 43581765

IUPAC[2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine
SMILESNCc1c(Cl)cccc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H15ClN2O2S/c12-10-2-1-3-11(9(10)8-13)14-4-6-17(15,16)7-5-14/h1-3H,4-8,13H2
InChIKeyCKQGKYFIVLIKMC-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.03
Rot. Bonds2

About [2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine

[2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine (PubChem CID 43581765) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is [2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine
PubChem CID43581765
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name[2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine
SMILESNCc1c(Cl)cccc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H15ClN2O2S/c12-10-2-1-3-11(9(10)8-13)14-4-6-17(15,16)7-5-14/h1-3H,4-8,13H2
InChIKeyCKQGKYFIVLIKMC-UHFFFAOYSA-N
XLogP1.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine?
The IUPAC name of [2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine (CID 43581765) is [2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine?
The canonical SMILES for [2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine is NCc1c(Cl)cccc1N1CCS(=O)(=O)CC1.
What is the InChIKey of [2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine?
The InChIKey is CKQGKYFIVLIKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c12-10-2-1-3-11(9(10)8-13)14-4-6-17(15,16)7-5-14/h1-3H,4-8,13H2.
What are the key properties of [2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine?
[2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine has a molecular weight of 274.77 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine is sourced from PubChem (CID 43581765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).