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

C12H19N3OS — CID 62471583

IUPACN-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
SMILESCCNc1cc(CN2CCS(=O)CC2)ccn1
InChIInChI=1S/C12H19N3OS/c1-2-13-12-9-11(3-4-14-12)10-15-5-7-17(16)8-6-15/h3-4,9H,2,5-8,10H2,1H3,(H,13,14)
InChIKeyBJSWBLFWQPJIJN-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.08
Rot. Bonds4

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

N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine (PubChem CID 62471583) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
PubChem CID62471583
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
SMILESCCNc1cc(CN2CCS(=O)CC2)ccn1
InChIInChI=1S/C12H19N3OS/c1-2-13-12-9-11(3-4-14-12)10-15-5-7-17(16)8-6-15/h3-4,9H,2,5-8,10H2,1H3,(H,13,14)
InChIKeyBJSWBLFWQPJIJN-UHFFFAOYSA-N
XLogP1.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[2-(ethylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 62464134
N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine
CID 55043507
5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
CID 55127587
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)-N-ethylpyridin-2-amine
CID 63151728
5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-2-amine
CID 55046608
3-[[2-(ethylamino)-4-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione
CID 62466141
4-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62466356
N-ethyl-4-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine
CID 62465995
2-[[2-(ethylamino)-4-pyridinyl]methyl]pyridazin-3-one
CID 62850152
4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 113228640
3-[[2-(ethylamino)-4-pyridinyl]methyl]-5-iodo-2-methylpyrimidin-4-one
CID 66342277
4-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine
CID 55139785

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine?
The IUPAC name of N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine (CID 62471583) is N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine is CCNc1cc(CN2CCS(=O)CC2)ccn1.
What is the InChIKey of N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine?
The InChIKey is BJSWBLFWQPJIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-2-13-12-9-11(3-4-14-12)10-15-5-7-17(16)8-6-15/h3-4,9H,2,5-8,10H2,1H3,(H,13,14).
What are the key properties of N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine?
N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine has a molecular weight of 253.37 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 62471583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).