8-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-5-amine

C15H19N3O2S — CID 102882733

IUPAC8-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-5-amine
SMILESCC1CS(=O)(=O)CCN1Cc1ccc(N)c2cccnc12
InChIInChI=1S/C15H19N3O2S/c1-11-10-21(19,20)8-7-18(11)9-12-4-5-14(16)13-3-2-6-17-15(12)13/h2-6,11H,7-10,16H2,1H3
InChIKeyYZIYHJSDRIMRNH-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.44
Rot. Bonds2

About 8-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-5-amine

8-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-5-amine (PubChem CID 102882733) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 8-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-5-amine.

Molecular Properties

Compound Name8-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-5-amine
PubChem CID102882733
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name8-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-5-amine
SMILESCC1CS(=O)(=O)CCN1Cc1ccc(N)c2cccnc12
InChIInChI=1S/C15H19N3O2S/c1-11-10-21(19,20)8-7-18(11)9-12-4-5-14(16)13-3-2-6-17-15(12)13/h2-6,11H,7-10,16H2,1H3
InChIKeyYZIYHJSDRIMRNH-UHFFFAOYSA-N
XLogP1.44
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-5-amine?
The IUPAC name of 8-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-5-amine (CID 102882733) is 8-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-5-amine.
What is the SMILES notation for 8-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-5-amine?
The canonical SMILES for 8-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-5-amine is CC1CS(=O)(=O)CCN1Cc1ccc(N)c2cccnc12.
What is the InChIKey of 8-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-5-amine?
The InChIKey is YZIYHJSDRIMRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-10-21(19,20)8-7-18(11)9-12-4-5-14(16)13-3-2-6-17-15(12)13/h2-6,11H,7-10,16H2,1H3.
What are the key properties of 8-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-5-amine?
8-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-5-amine has a molecular weight of 305.40 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-5-amine is sourced from PubChem (CID 102882733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).