3-(3-aminopyrazin-2-yl)sulfanyl-N-carbamoylpropanamide

C8H11N5O2S — CID 106679190

IUPAC3-(3-aminopyrazin-2-yl)sulfanyl-N-carbamoylpropanamide
SMILESNC(=O)NC(=O)CCSc1nccnc1N
InChIInChI=1S/C8H11N5O2S/c9-6-7(12-3-2-11-6)16-4-1-5(14)13-8(10)15/h2-3H,1,4H2,(H2,9,11)(H3,10,13,14,15)
InChIKeyUFWWULIWQBZJIL-UHFFFAOYSA-N
MW241.28 g/mol
LogP-0.26
Rot. Bonds4

About 3-(3-aminopyrazin-2-yl)sulfanyl-N-carbamoylpropanamide

3-(3-aminopyrazin-2-yl)sulfanyl-N-carbamoylpropanamide (PubChem CID 106679190) has the molecular formula C8H11N5O2S and a molecular weight of 241.28 g/mol. Its IUPAC name is 3-(3-aminopyrazin-2-yl)sulfanyl-N-carbamoylpropanamide.

Molecular Properties

Compound Name3-(3-aminopyrazin-2-yl)sulfanyl-N-carbamoylpropanamide
PubChem CID106679190
Molecular FormulaC8H11N5O2S
Molecular Weight241.28 g/mol
Exact Mass241.06
IUPAC Name3-(3-aminopyrazin-2-yl)sulfanyl-N-carbamoylpropanamide
SMILESNC(=O)NC(=O)CCSc1nccnc1N
InChIInChI=1S/C8H11N5O2S/c9-6-7(12-3-2-11-6)16-4-1-5(14)13-8(10)15/h2-3H,1,4H2,(H2,9,11)(H3,10,13,14,15)
InChIKeyUFWWULIWQBZJIL-UHFFFAOYSA-N
XLogP-0.26
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopyrazin-2-yl)sulfanyl-N-carbamoylpropanamide?
The IUPAC name of 3-(3-aminopyrazin-2-yl)sulfanyl-N-carbamoylpropanamide (CID 106679190) is 3-(3-aminopyrazin-2-yl)sulfanyl-N-carbamoylpropanamide.
What is the SMILES notation for 3-(3-aminopyrazin-2-yl)sulfanyl-N-carbamoylpropanamide?
The canonical SMILES for 3-(3-aminopyrazin-2-yl)sulfanyl-N-carbamoylpropanamide is NC(=O)NC(=O)CCSc1nccnc1N.
What is the InChIKey of 3-(3-aminopyrazin-2-yl)sulfanyl-N-carbamoylpropanamide?
The InChIKey is UFWWULIWQBZJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2S/c9-6-7(12-3-2-11-6)16-4-1-5(14)13-8(10)15/h2-3H,1,4H2,(H2,9,11)(H3,10,13,14,15).
What are the key properties of 3-(3-aminopyrazin-2-yl)sulfanyl-N-carbamoylpropanamide?
3-(3-aminopyrazin-2-yl)sulfanyl-N-carbamoylpropanamide has a molecular weight of 241.28 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopyrazin-2-yl)sulfanyl-N-carbamoylpropanamide is sourced from PubChem (CID 106679190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).