N-ethyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]ethanamine

C14H23N3O2S — CID 102883931

IUPACN-ethyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]ethanamine
SMILESCCNC(C)c1ccc(N2CCS(=O)(=O)CC2C)cn1
InChIInChI=1S/C14H23N3O2S/c1-4-15-12(3)14-6-5-13(9-16-14)17-7-8-20(18,19)10-11(17)2/h5-6,9,11-12,15H,4,7-8,10H2,1-3H3
InChIKeyYBCVEUHJCFMQHS-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.38
Rot. Bonds4

About N-ethyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]ethanamine

N-ethyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]ethanamine (PubChem CID 102883931) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-ethyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]ethanamine
PubChem CID102883931
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-ethyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]ethanamine
SMILESCCNC(C)c1ccc(N2CCS(=O)(=O)CC2C)cn1
InChIInChI=1S/C14H23N3O2S/c1-4-15-12(3)14-6-5-13(9-16-14)17-7-8-20(18,19)10-11(17)2/h5-6,9,11-12,15H,4,7-8,10H2,1-3H3
InChIKeyYBCVEUHJCFMQHS-UHFFFAOYSA-N
XLogP1.38
TPSA62.30 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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]ethanamine with MolForge

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Related Compounds

1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
CID 102883952
1-[5-(2,4-dimethylpiperidin-1-yl)-2-pyridinyl]-N-ethylethanamine
CID 83121863
2-[1-(ethylamino)ethyl]-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol
CID 102883981
1-[5-(2,5-dimethylpiperidin-1-yl)-2-pyridinyl]-N-ethylethanamine
CID 83127474
N-ethyl-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 83131415
[1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]methanol
CID 83122489
1-[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]-N-ethylethanamine
CID 83110270
1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]piperidin-4-ol
CID 83122376
N-ethyl-1-(5-morpholin-4-yl-2-pyridinyl)ethanamine
CID 83122280
N-[1-[5-(2,5-dimethylpiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine
CID 83127393
1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-ethylethanamine
CID 83111380
1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-N-ethylethanamine
CID 83111170

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]ethanamine (CID 102883931) is N-ethyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]ethanamine is CCNC(C)c1ccc(N2CCS(=O)(=O)CC2C)cn1.
What is the InChIKey of N-ethyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]ethanamine?
The InChIKey is YBCVEUHJCFMQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-4-15-12(3)14-6-5-13(9-16-14)17-7-8-20(18,19)10-11(17)2/h5-6,9,11-12,15H,4,7-8,10H2,1-3H3.
What are the key properties of N-ethyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]ethanamine?
N-ethyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]ethanamine has a molecular weight of 297.42 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 102883931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).