3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine

C14H17N3O2S — CID 62182409

IUPAC3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine
SMILESNc1nc2ccccc2cc1CN1CCS(=O)(=O)CC1
InChIInChI=1S/C14H17N3O2S/c15-14-12(9-11-3-1-2-4-13(11)16-14)10-17-5-7-20(18,19)8-6-17/h1-4,9H,5-8,10H2,(H2,15,16)
InChIKeyQRADSDOZEIJBGH-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.05
Rot. Bonds2

About 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine

3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine (PubChem CID 62182409) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine.

Molecular Properties

Compound Name3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine
PubChem CID62182409
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine
SMILESNc1nc2ccccc2cc1CN1CCS(=O)(=O)CC1
InChIInChI=1S/C14H17N3O2S/c15-14-12(9-11-3-1-2-4-13(11)16-14)10-17-5-7-20(18,19)8-6-17/h1-4,9H,5-8,10H2,(H2,15,16)
InChIKeyQRADSDOZEIJBGH-UHFFFAOYSA-N
XLogP1.05
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine?
The IUPAC name of 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine (CID 62182409) is 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine.
What is the SMILES notation for 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine?
The canonical SMILES for 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine is Nc1nc2ccccc2cc1CN1CCS(=O)(=O)CC1.
What is the InChIKey of 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine?
The InChIKey is QRADSDOZEIJBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c15-14-12(9-11-3-1-2-4-13(11)16-14)10-17-5-7-20(18,19)8-6-17/h1-4,9H,5-8,10H2,(H2,15,16).
What are the key properties of 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine?
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine has a molecular weight of 291.38 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine is sourced from PubChem (CID 62182409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).