(5-methylsulfonylpyrazin-2-yl)methanamine

C6H9N3O2S — CID 139437301

IUPAC(5-methylsulfonylpyrazin-2-yl)methanamine
SMILESCS(=O)(=O)c1cnc(CN)cn1
InChIInChI=1S/C6H9N3O2S/c1-12(10,11)6-4-8-5(2-7)3-9-6/h3-4H,2,7H2,1H3
InChIKeyNJDMUMBYASSCCZ-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.66
Rot. Bonds2

About (5-methylsulfonylpyrazin-2-yl)methanamine

(5-methylsulfonylpyrazin-2-yl)methanamine (PubChem CID 139437301) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is (5-methylsulfonylpyrazin-2-yl)methanamine.

Molecular Properties

Compound Name(5-methylsulfonylpyrazin-2-yl)methanamine
PubChem CID139437301
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name(5-methylsulfonylpyrazin-2-yl)methanamine
SMILESCS(=O)(=O)c1cnc(CN)cn1
InChIInChI=1S/C6H9N3O2S/c1-12(10,11)6-4-8-5(2-7)3-9-6/h3-4H,2,7H2,1H3
InChIKeyNJDMUMBYASSCCZ-UHFFFAOYSA-N
XLogP-0.66
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methylsulfonylpyrazin-2-yl)hydrazine
CID 18624116
(5-methylpyrazin-2-yl)methanamine
CID 2756496
ethane;(5-methylpyrazin-2-yl)methanamine
CID 143579527
5-ethyl-4-methyl-2-methylsulfonylpyridine
CID 89286390
4-ethyl-5-methyl-2-methylsulfonylpyridine
CID 123749791
[5-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanamine
CID 165472913
methyl 5-(aminomethyl)pyrazine-2-carboxylate;hydrochloride
CID 67079097
5-(methoxymethyl)-2-methylsulfonylpyridine
CID 168954994
N-methyl-6-methylsulfonylpyridin-3-amine
CID 63091077
2-ethyl-5-methylsulfonylpyridine
CID 70661388
5-(aminomethyl)-6-methylsulfonyl-1H-pyrimidin-2-one
CID 133057501
4-amino-2-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
CID 80543396

Frequently Asked Questions

What is the IUPAC name of (5-methylsulfonylpyrazin-2-yl)methanamine?
The IUPAC name of (5-methylsulfonylpyrazin-2-yl)methanamine (CID 139437301) is (5-methylsulfonylpyrazin-2-yl)methanamine.
What is the SMILES notation for (5-methylsulfonylpyrazin-2-yl)methanamine?
The canonical SMILES for (5-methylsulfonylpyrazin-2-yl)methanamine is CS(=O)(=O)c1cnc(CN)cn1.
What is the InChIKey of (5-methylsulfonylpyrazin-2-yl)methanamine?
The InChIKey is NJDMUMBYASSCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-12(10,11)6-4-8-5(2-7)3-9-6/h3-4H,2,7H2,1H3.
What are the key properties of (5-methylsulfonylpyrazin-2-yl)methanamine?
(5-methylsulfonylpyrazin-2-yl)methanamine has a molecular weight of 187.22 g/mol, XLogP of -0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylsulfonylpyrazin-2-yl)methanamine is sourced from PubChem (CID 139437301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).