5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine

C12H18ClN3OS — CID 55127587

IUPAC5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
SMILESCCNc1ccc(Cl)c(CN2CCS(=O)CC2)n1
InChIInChI=1S/C12H18ClN3OS/c1-2-14-12-4-3-10(13)11(15-12)9-16-5-7-18(17)8-6-16/h3-4H,2,5-9H2,1H3,(H,14,15)
InChIKeyXUMDEXNIFCWVQQ-UHFFFAOYSA-N
MW287.82 g/mol
LogP1.73
Rot. Bonds4

About 5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine

5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine (PubChem CID 55127587) has the molecular formula C12H18ClN3OS and a molecular weight of 287.82 g/mol. Its IUPAC name is 5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
PubChem CID55127587
Molecular FormulaC12H18ClN3OS
Molecular Weight287.82 g/mol
Exact Mass287.09
IUPAC Name5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
SMILESCCNc1ccc(Cl)c(CN2CCS(=O)CC2)n1
InChIInChI=1S/C12H18ClN3OS/c1-2-14-12-4-3-10(13)11(15-12)9-16-5-7-18(17)8-6-16/h3-4H,2,5-9H2,1H3,(H,14,15)
InChIKeyXUMDEXNIFCWVQQ-UHFFFAOYSA-N
XLogP1.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.82
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-ethylpyridin-2-amine
CID 63165745
1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]piperidine-2,6-dione
CID 55127786
N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
CID 62471583
[1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]piperidin-3-yl]methanol
CID 62891805
5-chloro-6-[(4-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62892502
5-chloro-N-ethyl-6-[(2-methylpyrrolidin-1-yl)methyl]pyridin-2-amine
CID 62890748
5-chloro-6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-ethylpyridin-2-amine
CID 104968876
1-[4-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 62893195
5-chloro-6-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine
CID 62890593
5-chloro-N-ethyl-6-[(2-ethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62891478
5-chloro-6-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62891537
5-chloro-6-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62886659

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine (CID 55127587) is 5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine is CCNc1ccc(Cl)c(CN2CCS(=O)CC2)n1.
What is the InChIKey of 5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine?
The InChIKey is XUMDEXNIFCWVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3OS/c1-2-14-12-4-3-10(13)11(15-12)9-16-5-7-18(17)8-6-16/h3-4H,2,5-9H2,1H3,(H,14,15).
What are the key properties of 5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine?
5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine has a molecular weight of 287.82 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 55127587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).