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

C11H18N4O2S — CID 107379251

IUPACN-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cnc(N2CCS(=O)(=O)CC2)cn1
InChIInChI=1S/C11H18N4O2S/c1-2-12-7-10-8-14-11(9-13-10)15-3-5-18(16,17)6-4-15/h8-9,12H,2-7H2,1H3
InChIKeyNTTUUZQCZOOCMU-UHFFFAOYSA-N
MW270.36 g/mol
LogP-0.18
Rot. Bonds4

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

N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine (PubChem CID 107379251) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine
PubChem CID107379251
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC NameN-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cnc(N2CCS(=O)(=O)CC2)cn1
InChIInChI=1S/C11H18N4O2S/c1-2-12-7-10-8-14-11(9-13-10)15-3-5-18(16,17)6-4-15/h8-9,12H,2-7H2,1H3
InChIKeyNTTUUZQCZOOCMU-UHFFFAOYSA-N
XLogP-0.18
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 107379250
N-[[5-(3,4-dimethylpyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 107380493
N-[[5-(1,3-dihydroisoindol-2-yl)pyrazin-2-yl]methyl]ethanamine
CID 107378785
N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine
CID 107378814
N-[[5-(3-propan-2-ylpyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 107380838
N-[(5-imidazol-1-ylpyrazin-2-yl)methyl]ethanamine
CID 107381127
N-[[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107379246
N-[(5-pyrazol-1-ylpyrazin-2-yl)methyl]ethanamine
CID 107381116
N-[[5-(2-ethylpiperidin-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 107379083
1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propan-1-one
CID 166604192
1-[5-(3-azaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-N-methylmethanamine
CID 107379977
5-(ethylaminomethyl)pyrazine-2-carboxylic acid
CID 105439294

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine (CID 107379251) is N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine is CCNCc1cnc(N2CCS(=O)(=O)CC2)cn1.
What is the InChIKey of N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine?
The InChIKey is NTTUUZQCZOOCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-2-12-7-10-8-14-11(9-13-10)15-3-5-18(16,17)6-4-15/h8-9,12H,2-7H2,1H3.
What are the key properties of N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine?
N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine has a molecular weight of 270.36 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine is sourced from PubChem (CID 107379251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).