N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-1-amine

C13H22N4O2S — CID 102886778

IUPACN-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cncc(N2CCS(=O)(=O)CC2C)n1
InChIInChI=1S/C13H22N4O2S/c1-3-4-14-7-12-8-15-9-13(16-12)17-5-6-20(18,19)10-11(17)2/h8-9,11,14H,3-7,10H2,1-2H3
InChIKeyLRPVLZOXTXKNDZ-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.60
Rot. Bonds5

About N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-1-amine

N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-1-amine (PubChem CID 102886778) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-1-amine
PubChem CID102886778
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cncc(N2CCS(=O)(=O)CC2C)n1
InChIInChI=1S/C13H22N4O2S/c1-3-4-14-7-12-8-15-9-13(16-12)17-5-6-20(18,19)10-11(17)2/h8-9,11,14H,3-7,10H2,1-2H3
InChIKeyLRPVLZOXTXKNDZ-UHFFFAOYSA-N
XLogP0.60
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine
CID 102886676
N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 102884906
N-[[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 66458129
N-[[6-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 66451089
N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-1-amine
CID 102884896
N-[[4-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 102887147
N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyrazin-2-yl]methyl]propan-1-amine
CID 66451855
6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde
CID 102884285
4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885503
[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]methanamine
CID 102884804
2-methyl-N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 102886799
N-[[6-(2-propylimidazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 66451540

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-1-amine (CID 102886778) is N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-1-amine is CCCNCc1cncc(N2CCS(=O)(=O)CC2C)n1.
What is the InChIKey of N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-1-amine?
The InChIKey is LRPVLZOXTXKNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-4-14-7-12-8-15-9-13(16-12)17-5-6-20(18,19)10-11(17)2/h8-9,11,14H,3-7,10H2,1-2H3.
What are the key properties of N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-1-amine?
N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 298.41 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 102886778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).