3-[(3-oxo-4-propylpyrazin-2-yl)amino]propane-1-sulfonamide

C10H18N4O3S — CID 55157567

IUPAC3-[(3-oxo-4-propylpyrazin-2-yl)amino]propane-1-sulfonamide
SMILESCCCn1ccnc(NCCCS(N)(=O)=O)c1=O
InChIInChI=1S/C10H18N4O3S/c1-2-6-14-7-5-13-9(10(14)15)12-4-3-8-18(11,16)17/h5,7H,2-4,6,8H2,1H3,(H,12,13)(H2,11,16,17)
InChIKeyMQYLILCSFTYGIP-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.26
Rot. Bonds7

About 3-[(3-oxo-4-propylpyrazin-2-yl)amino]propane-1-sulfonamide

3-[(3-oxo-4-propylpyrazin-2-yl)amino]propane-1-sulfonamide (PubChem CID 55157567) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 3-[(3-oxo-4-propylpyrazin-2-yl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(3-oxo-4-propylpyrazin-2-yl)amino]propane-1-sulfonamide
PubChem CID55157567
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name3-[(3-oxo-4-propylpyrazin-2-yl)amino]propane-1-sulfonamide
SMILESCCCn1ccnc(NCCCS(N)(=O)=O)c1=O
InChIInChI=1S/C10H18N4O3S/c1-2-6-14-7-5-13-9(10(14)15)12-4-3-8-18(11,16)17/h5,7H,2-4,6,8H2,1H3,(H,12,13)(H2,11,16,17)
InChIKeyMQYLILCSFTYGIP-UHFFFAOYSA-N
XLogP-0.26
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-oxo-4-propylpyrazin-2-yl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[(3-oxo-4-propylpyrazin-2-yl)amino]propane-1-sulfonamide (CID 55157567) is 3-[(3-oxo-4-propylpyrazin-2-yl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(3-oxo-4-propylpyrazin-2-yl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[(3-oxo-4-propylpyrazin-2-yl)amino]propane-1-sulfonamide is CCCn1ccnc(NCCCS(N)(=O)=O)c1=O.
What is the InChIKey of 3-[(3-oxo-4-propylpyrazin-2-yl)amino]propane-1-sulfonamide?
The InChIKey is MQYLILCSFTYGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-2-6-14-7-5-13-9(10(14)15)12-4-3-8-18(11,16)17/h5,7H,2-4,6,8H2,1H3,(H,12,13)(H2,11,16,17).
What are the key properties of 3-[(3-oxo-4-propylpyrazin-2-yl)amino]propane-1-sulfonamide?
3-[(3-oxo-4-propylpyrazin-2-yl)amino]propane-1-sulfonamide has a molecular weight of 274.35 g/mol, XLogP of -0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-oxo-4-propylpyrazin-2-yl)amino]propane-1-sulfonamide is sourced from PubChem (CID 55157567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).