(3-thiomorpholin-4-ylpyrazin-2-yl)methanamine

C9H14N4S — CID 62671808

IUPAC(3-thiomorpholin-4-ylpyrazin-2-yl)methanamine
SMILESNCc1nccnc1N1CCSCC1
InChIInChI=1S/C9H14N4S/c10-7-8-9(12-2-1-11-8)13-3-5-14-6-4-13/h1-2H,3-7,10H2
InChIKeyJNSQHPFCDZQLCN-UHFFFAOYSA-N
MW210.31 g/mol
LogP0.49
Rot. Bonds2

About (3-thiomorpholin-4-ylpyrazin-2-yl)methanamine

(3-thiomorpholin-4-ylpyrazin-2-yl)methanamine (PubChem CID 62671808) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is (3-thiomorpholin-4-ylpyrazin-2-yl)methanamine.

Molecular Properties

Compound Name(3-thiomorpholin-4-ylpyrazin-2-yl)methanamine
PubChem CID62671808
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name(3-thiomorpholin-4-ylpyrazin-2-yl)methanamine
SMILESNCc1nccnc1N1CCSCC1
InChIInChI=1S/C9H14N4S/c10-7-8-9(12-2-1-11-8)13-3-5-14-6-4-13/h1-2H,3-7,10H2
InChIKeyJNSQHPFCDZQLCN-UHFFFAOYSA-N
XLogP0.49
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-thiomorpholin-4-ylpyrazin-2-yl)methanamine?
The IUPAC name of (3-thiomorpholin-4-ylpyrazin-2-yl)methanamine (CID 62671808) is (3-thiomorpholin-4-ylpyrazin-2-yl)methanamine.
What is the SMILES notation for (3-thiomorpholin-4-ylpyrazin-2-yl)methanamine?
The canonical SMILES for (3-thiomorpholin-4-ylpyrazin-2-yl)methanamine is NCc1nccnc1N1CCSCC1.
What is the InChIKey of (3-thiomorpholin-4-ylpyrazin-2-yl)methanamine?
The InChIKey is JNSQHPFCDZQLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c10-7-8-9(12-2-1-11-8)13-3-5-14-6-4-13/h1-2H,3-7,10H2.
What are the key properties of (3-thiomorpholin-4-ylpyrazin-2-yl)methanamine?
(3-thiomorpholin-4-ylpyrazin-2-yl)methanamine has a molecular weight of 210.31 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-thiomorpholin-4-ylpyrazin-2-yl)methanamine is sourced from PubChem (CID 62671808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).