2-(1,1-dioxothiolan-3-yl)-1-(3-methoxypyrazin-2-yl)ethanamine

C11H17N3O3S — CID 105178630

IUPAC2-(1,1-dioxothiolan-3-yl)-1-(3-methoxypyrazin-2-yl)ethanamine
SMILESCOc1nccnc1C(N)CC1CCS(=O)(=O)C1
InChIInChI=1S/C11H17N3O3S/c1-17-11-10(13-3-4-14-11)9(12)6-8-2-5-18(15,16)7-8/h3-4,8-9H,2,5-7,12H2,1H3
InChIKeyMSEUYKQQFCNOFI-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.31
Rot. Bonds4

About 2-(1,1-dioxothiolan-3-yl)-1-(3-methoxypyrazin-2-yl)ethanamine

2-(1,1-dioxothiolan-3-yl)-1-(3-methoxypyrazin-2-yl)ethanamine (PubChem CID 105178630) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-1-(3-methoxypyrazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-1-(3-methoxypyrazin-2-yl)ethanamine
PubChem CID105178630
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-(1,1-dioxothiolan-3-yl)-1-(3-methoxypyrazin-2-yl)ethanamine
SMILESCOc1nccnc1C(N)CC1CCS(=O)(=O)C1
InChIInChI=1S/C11H17N3O3S/c1-17-11-10(13-3-4-14-11)9(12)6-8-2-5-18(15,16)7-8/h3-4,8-9H,2,5-7,12H2,1H3
InChIKeyMSEUYKQQFCNOFI-UHFFFAOYSA-N
XLogP0.31
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cycloheptyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 105032196
2-(1,1-dioxothiolan-3-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 105186241
2-(1,1-dioxothiolan-3-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 105179040
2-(1,1-dioxothiolan-3-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 105164207
2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 105148582
2-(1,1-dioxothiolan-3-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 105144795
2-(1,1-dioxothiolan-3-yl)-1-quinolin-6-ylethanamine
CID 105172342
1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyphenyl)propan-2-amine
CID 105107411
2-(1,1-dioxothiolan-3-yl)-1-(3-ethyltriazol-4-yl)ethanamine
CID 114213581
1-(2,6-dimethoxyphenyl)-2-(1,1-dioxothiolan-3-yl)ethanol
CID 105131622
1-(2,5-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethanamine
CID 105120200
1-(3-methoxypyrazin-2-yl)pentan-1-amine
CID 104515880

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1-(3-methoxypyrazin-2-yl)ethanamine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1-(3-methoxypyrazin-2-yl)ethanamine (CID 105178630) is 2-(1,1-dioxothiolan-3-yl)-1-(3-methoxypyrazin-2-yl)ethanamine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-1-(3-methoxypyrazin-2-yl)ethanamine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-1-(3-methoxypyrazin-2-yl)ethanamine is COc1nccnc1C(N)CC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-1-(3-methoxypyrazin-2-yl)ethanamine?
The InChIKey is MSEUYKQQFCNOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-17-11-10(13-3-4-14-11)9(12)6-8-2-5-18(15,16)7-8/h3-4,8-9H,2,5-7,12H2,1H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-1-(3-methoxypyrazin-2-yl)ethanamine?
2-(1,1-dioxothiolan-3-yl)-1-(3-methoxypyrazin-2-yl)ethanamine has a molecular weight of 271.34 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-1-(3-methoxypyrazin-2-yl)ethanamine is sourced from PubChem (CID 105178630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).