6-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrazin-2-amine

C11H18N4OS — CID 80805378

IUPAC6-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(N2CCS(=O)CC2)n1
InChIInChI=1S/C11H18N4OS/c1-2-3-13-10-8-12-9-11(14-10)15-4-6-17(16)7-5-15/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyZDBRKAAHSFYJKD-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.87
Rot. Bonds4

About 6-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrazin-2-amine

6-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrazin-2-amine (PubChem CID 80805378) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 6-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name6-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrazin-2-amine
PubChem CID80805378
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name6-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(N2CCS(=O)CC2)n1
InChIInChI=1S/C11H18N4OS/c1-2-3-13-10-8-12-9-11(14-10)15-4-6-17(16)7-5-15/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyZDBRKAAHSFYJKD-UHFFFAOYSA-N
XLogP0.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[6-(propylamino)pyrazin-2-yl]piperazin-1-yl]ethanone
CID 80767680
N-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazin-2-amine
CID 80823221
6-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrazin-2-amine
CID 103541978
6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrazin-2-amine
CID 80764263
N-propyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrazin-2-amine
CID 114541851
6-(3,3-dimethylpiperidin-1-yl)-N-propylpyrazin-2-amine
CID 80835299
6-(3-ethylpiperidin-1-yl)-N-propylpyrazin-2-amine
CID 80793558
6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-propylpyrazin-2-amine
CID 80831842
5-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine
CID 80804882
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-propylpyrazin-2-amine
CID 80842469
2-N-piperidin-1-yl-6-N-propylpyrazine-2,6-diamine
CID 83027760
N-ethyl-6-thiomorpholin-4-ylpyrazin-2-amine
CID 78990525

Frequently Asked Questions

What is the IUPAC name of 6-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrazin-2-amine?
The IUPAC name of 6-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrazin-2-amine (CID 80805378) is 6-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrazin-2-amine.
What is the SMILES notation for 6-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrazin-2-amine?
The canonical SMILES for 6-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrazin-2-amine is CCCNc1cncc(N2CCS(=O)CC2)n1.
What is the InChIKey of 6-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrazin-2-amine?
The InChIKey is ZDBRKAAHSFYJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-2-3-13-10-8-12-9-11(14-10)15-4-6-17(16)7-5-15/h8-9H,2-7H2,1H3,(H,13,14).
What are the key properties of 6-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrazin-2-amine?
6-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrazin-2-amine has a molecular weight of 254.36 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrazin-2-amine is sourced from PubChem (CID 80805378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).