2-[(3-amino-2-pyridinyl)sulfinyl]-N-methylacetamide

C8H11N3O2S — CID 61368103

IUPAC2-[(3-amino-2-pyridinyl)sulfinyl]-N-methylacetamide
SMILESCNC(=O)CS(=O)c1ncccc1N
InChIInChI=1S/C8H11N3O2S/c1-10-7(12)5-14(13)8-6(9)3-2-4-11-8/h2-4H,5,9H2,1H3,(H,10,12)
InChIKeyAPJSMCBMSUUYQD-UHFFFAOYSA-N
MW213.26 g/mol
LogP-0.48
Rot. Bonds3

About 2-[(3-amino-2-pyridinyl)sulfinyl]-N-methylacetamide

2-[(3-amino-2-pyridinyl)sulfinyl]-N-methylacetamide (PubChem CID 61368103) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-[(3-amino-2-pyridinyl)sulfinyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-amino-2-pyridinyl)sulfinyl]-N-methylacetamide
PubChem CID61368103
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name2-[(3-amino-2-pyridinyl)sulfinyl]-N-methylacetamide
SMILESCNC(=O)CS(=O)c1ncccc1N
InChIInChI=1S/C8H11N3O2S/c1-10-7(12)5-14(13)8-6(9)3-2-4-11-8/h2-4H,5,9H2,1H3,(H,10,12)
InChIKeyAPJSMCBMSUUYQD-UHFFFAOYSA-N
XLogP-0.48
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-pyridinyl)sulfinyl]-N-methylacetamide?
The IUPAC name of 2-[(3-amino-2-pyridinyl)sulfinyl]-N-methylacetamide (CID 61368103) is 2-[(3-amino-2-pyridinyl)sulfinyl]-N-methylacetamide.
What is the SMILES notation for 2-[(3-amino-2-pyridinyl)sulfinyl]-N-methylacetamide?
The canonical SMILES for 2-[(3-amino-2-pyridinyl)sulfinyl]-N-methylacetamide is CNC(=O)CS(=O)c1ncccc1N.
What is the InChIKey of 2-[(3-amino-2-pyridinyl)sulfinyl]-N-methylacetamide?
The InChIKey is APJSMCBMSUUYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-10-7(12)5-14(13)8-6(9)3-2-4-11-8/h2-4H,5,9H2,1H3,(H,10,12).
What are the key properties of 2-[(3-amino-2-pyridinyl)sulfinyl]-N-methylacetamide?
2-[(3-amino-2-pyridinyl)sulfinyl]-N-methylacetamide has a molecular weight of 213.26 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-pyridinyl)sulfinyl]-N-methylacetamide is sourced from PubChem (CID 61368103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).