[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-benzofuran-2-yl]methanamine

C15H20N2O3S — CID 102886834

IUPAC[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-benzofuran-2-yl]methanamine
SMILESCC1CS(=O)(=O)CCN1Cc1c(CN)oc2ccccc12
InChIInChI=1S/C15H20N2O3S/c1-11-10-21(18,19)7-6-17(11)9-13-12-4-2-3-5-14(12)20-15(13)8-16/h2-5,11H,6-10,16H2,1H3
InChIKeyYAOJBQQXUKMIHR-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.51
Rot. Bonds3

About [3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-benzofuran-2-yl]methanamine

[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-benzofuran-2-yl]methanamine (PubChem CID 102886834) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is [3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-benzofuran-2-yl]methanamine
PubChem CID102886834
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-benzofuran-2-yl]methanamine
SMILESCC1CS(=O)(=O)CCN1Cc1c(CN)oc2ccccc12
InChIInChI=1S/C15H20N2O3S/c1-11-10-21(18,19)7-6-17(11)9-13-12-4-2-3-5-14(12)20-15(13)8-16/h2-5,11H,6-10,16H2,1H3
InChIKeyYAOJBQQXUKMIHR-UHFFFAOYSA-N
XLogP1.51
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-benzofuran-2-yl]methanamine?
The IUPAC name of [3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-benzofuran-2-yl]methanamine (CID 102886834) is [3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-benzofuran-2-yl]methanamine is CC1CS(=O)(=O)CCN1Cc1c(CN)oc2ccccc12.
What is the InChIKey of [3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-benzofuran-2-yl]methanamine?
The InChIKey is YAOJBQQXUKMIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11-10-21(18,19)7-6-17(11)9-13-12-4-2-3-5-14(12)20-15(13)8-16/h2-5,11H,6-10,16H2,1H3.
What are the key properties of [3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-benzofuran-2-yl]methanamine?
[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-benzofuran-2-yl]methanamine has a molecular weight of 308.40 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 102886834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).