1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-pyridin-4-ylbutan-2-amine

C14H23N3O2S — CID 102882843

IUPAC1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-pyridin-4-ylbutan-2-amine
SMILESCCC(N)C(c1ccncc1)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C14H23N3O2S/c1-3-13(15)14(12-4-6-16-7-5-12)17-8-9-20(18,19)10-11(17)2/h4-7,11,13-14H,3,8-10,15H2,1-2H3
InChIKeyHKFJANJYOQCHPT-UHFFFAOYSA-N
MW297.42 g/mol
LogP0.98
Rot. Bonds4

About 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-pyridin-4-ylbutan-2-amine

1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-pyridin-4-ylbutan-2-amine (PubChem CID 102882843) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-pyridin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-pyridin-4-ylbutan-2-amine
PubChem CID102882843
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-pyridin-4-ylbutan-2-amine
SMILESCCC(N)C(c1ccncc1)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C14H23N3O2S/c1-3-13(15)14(12-4-6-16-7-5-12)17-8-9-20(18,19)10-11(17)2/h4-7,11,13-14H,3,8-10,15H2,1-2H3
InChIKeyHKFJANJYOQCHPT-UHFFFAOYSA-N
XLogP0.98
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-pyridin-4-ylbutan-2-amine?
The IUPAC name of 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-pyridin-4-ylbutan-2-amine (CID 102882843) is 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-pyridin-4-ylbutan-2-amine.
What is the SMILES notation for 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-pyridin-4-ylbutan-2-amine?
The canonical SMILES for 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-pyridin-4-ylbutan-2-amine is CCC(N)C(c1ccncc1)N1CCS(=O)(=O)CC1C.
What is the InChIKey of 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-pyridin-4-ylbutan-2-amine?
The InChIKey is HKFJANJYOQCHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-13(15)14(12-4-6-16-7-5-12)17-8-9-20(18,19)10-11(17)2/h4-7,11,13-14H,3,8-10,15H2,1-2H3.
What are the key properties of 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-pyridin-4-ylbutan-2-amine?
1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-pyridin-4-ylbutan-2-amine has a molecular weight of 297.42 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-pyridin-4-ylbutan-2-amine is sourced from PubChem (CID 102882843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).