2-[4-(3-methylpyrazin-2-yl)thiomorpholin-3-yl]acetic acid

C11H15N3O2S — CID 83063382

IUPAC2-[4-(3-methylpyrazin-2-yl)thiomorpholin-3-yl]acetic acid
SMILESCc1nccnc1N1CCSCC1CC(=O)O
InChIInChI=1S/C11H15N3O2S/c1-8-11(13-3-2-12-8)14-4-5-17-7-9(14)6-10(15)16/h2-3,9H,4-7H2,1H3,(H,15,16)
InChIKeyQKSKMPWCLYDRAQ-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.18
Rot. Bonds3

About 2-[4-(3-methylpyrazin-2-yl)thiomorpholin-3-yl]acetic acid

2-[4-(3-methylpyrazin-2-yl)thiomorpholin-3-yl]acetic acid (PubChem CID 83063382) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-[4-(3-methylpyrazin-2-yl)thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-methylpyrazin-2-yl)thiomorpholin-3-yl]acetic acid
PubChem CID83063382
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2-[4-(3-methylpyrazin-2-yl)thiomorpholin-3-yl]acetic acid
SMILESCc1nccnc1N1CCSCC1CC(=O)O
InChIInChI=1S/C11H15N3O2S/c1-8-11(13-3-2-12-8)14-4-5-17-7-9(14)6-10(15)16/h2-3,9H,4-7H2,1H3,(H,15,16)
InChIKeyQKSKMPWCLYDRAQ-UHFFFAOYSA-N
XLogP1.18
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-methylquinoxalin-2-yl)thiomorpholin-3-yl]acetic acid
CID 66445102
2-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)thiomorpholin-3-yl]acetic acid
CID 103385120
2-[4-[3-(trifluoromethyl)-2-pyridinyl]thiomorpholin-3-yl]acetic acid
CID 66445871
2-[4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]thiomorpholin-3-yl]acetic acid
CID 66443532
2-[4-(4-methoxypyrimidin-2-yl)thiomorpholin-3-yl]acetic acid
CID 66442944
2-[4-(3-cyano-2,6-dimethyl-4-pyridinyl)thiomorpholin-3-yl]acetic acid
CID 81061191
2-[4-(6-ethoxypyrimidin-4-yl)thiomorpholin-3-yl]acetic acid
CID 66445483
2-[4-[(3,5-dimethylphenyl)methyl]thiomorpholin-3-yl]acetic acid
CID 66445166
2-[4-(6-chloropyrazin-2-yl)thiomorpholin-3-yl]acetic acid
CID 114335466
2-[4-(5-cyano-2-pyridinyl)thiomorpholin-3-yl]acetic acid
CID 66443525
4-(3,6-dimethylpyrazin-2-yl)thiomorpholine-3-carboxylic acid
CID 82904167
2-[4-[(2,4-dimethylphenyl)methyl]thiomorpholin-3-yl]acetic acid
CID 66421183

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylpyrazin-2-yl)thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(3-methylpyrazin-2-yl)thiomorpholin-3-yl]acetic acid (CID 83063382) is 2-[4-(3-methylpyrazin-2-yl)thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-methylpyrazin-2-yl)thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(3-methylpyrazin-2-yl)thiomorpholin-3-yl]acetic acid is Cc1nccnc1N1CCSCC1CC(=O)O.
What is the InChIKey of 2-[4-(3-methylpyrazin-2-yl)thiomorpholin-3-yl]acetic acid?
The InChIKey is QKSKMPWCLYDRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-8-11(13-3-2-12-8)14-4-5-17-7-9(14)6-10(15)16/h2-3,9H,4-7H2,1H3,(H,15,16).
What are the key properties of 2-[4-(3-methylpyrazin-2-yl)thiomorpholin-3-yl]acetic acid?
2-[4-(3-methylpyrazin-2-yl)thiomorpholin-3-yl]acetic acid has a molecular weight of 253.33 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylpyrazin-2-yl)thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 83063382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).