2-[4-(6-chloropyrazin-2-yl)thiomorpholin-3-yl]acetic acid

C10H12ClN3O2S — CID 114335466

IUPAC2-[4-(6-chloropyrazin-2-yl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1c1cncc(Cl)n1
InChIInChI=1S/C10H12ClN3O2S/c11-8-4-12-5-9(13-8)14-1-2-17-6-7(14)3-10(15)16/h4-5,7H,1-3,6H2,(H,15,16)
InChIKeyKBPXWVSDEOGQIX-UHFFFAOYSA-N
MW273.74 g/mol
LogP1.53
Rot. Bonds3

About 2-[4-(6-chloropyrazin-2-yl)thiomorpholin-3-yl]acetic acid

2-[4-(6-chloropyrazin-2-yl)thiomorpholin-3-yl]acetic acid (PubChem CID 114335466) has the molecular formula C10H12ClN3O2S and a molecular weight of 273.74 g/mol. Its IUPAC name is 2-[4-(6-chloropyrazin-2-yl)thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(6-chloropyrazin-2-yl)thiomorpholin-3-yl]acetic acid
PubChem CID114335466
Molecular FormulaC10H12ClN3O2S
Molecular Weight273.74 g/mol
Exact Mass273.03
IUPAC Name2-[4-(6-chloropyrazin-2-yl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1c1cncc(Cl)n1
InChIInChI=1S/C10H12ClN3O2S/c11-8-4-12-5-9(13-8)14-1-2-17-6-7(14)3-10(15)16/h4-5,7H,1-3,6H2,(H,15,16)
InChIKeyKBPXWVSDEOGQIX-UHFFFAOYSA-N
XLogP1.53
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-chloropyrazin-2-yl)-3-methylsulfonylthiomorpholine
CID 66383089
2-[4-[6-(trifluoromethyl)-2-pyridinyl]thiomorpholin-3-yl]acetic acid
CID 66445493
2-[4-(5-cyano-2-pyridinyl)thiomorpholin-3-yl]acetic acid
CID 66443525
2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)thiomorpholin-3-yl]acetic acid
CID 136959213
2-[4-(3-methylpyrazin-2-yl)thiomorpholin-3-yl]acetic acid
CID 83063382
2-[4-(6-ethoxypyrimidin-4-yl)thiomorpholin-3-yl]acetic acid
CID 66445483
2-[4-(3-nitro-4-pyridinyl)thiomorpholin-3-yl]acetic acid
CID 66444709
2-(4-benzylthiomorpholin-3-yl)acetic acid
CID 66442992
2-[4-(3-methylquinoxalin-2-yl)thiomorpholin-3-yl]acetic acid
CID 66445102
2-[4-(6-chloropyridine-2-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66444450
2-[4-(4-methoxypyrimidin-2-yl)thiomorpholin-3-yl]acetic acid
CID 66442944
2-[4-(1,3-benzoxazol-2-yl)thiomorpholin-3-yl]acetic acid
CID 66444499

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloropyrazin-2-yl)thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(6-chloropyrazin-2-yl)thiomorpholin-3-yl]acetic acid (CID 114335466) is 2-[4-(6-chloropyrazin-2-yl)thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(6-chloropyrazin-2-yl)thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(6-chloropyrazin-2-yl)thiomorpholin-3-yl]acetic acid is O=C(O)CC1CSCCN1c1cncc(Cl)n1.
What is the InChIKey of 2-[4-(6-chloropyrazin-2-yl)thiomorpholin-3-yl]acetic acid?
The InChIKey is KBPXWVSDEOGQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2S/c11-8-4-12-5-9(13-8)14-1-2-17-6-7(14)3-10(15)16/h4-5,7H,1-3,6H2,(H,15,16).
What are the key properties of 2-[4-(6-chloropyrazin-2-yl)thiomorpholin-3-yl]acetic acid?
2-[4-(6-chloropyrazin-2-yl)thiomorpholin-3-yl]acetic acid has a molecular weight of 273.74 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloropyrazin-2-yl)thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 114335466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).