2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propane-1-sulfonamide

C13H17N3O2S2 — CID 122277004

IUPAC2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCc1nccnc1-c1ccsc1
InChIInChI=1S/C13H17N3O2S2/c1-10(2)9-20(17,18)16-7-12-13(15-5-4-14-12)11-3-6-19-8-11/h3-6,8,10,16H,7,9H2,1-2H3
InChIKeyRMSDDGHXEYVZSC-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.28
Rot. Bonds6

About 2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propane-1-sulfonamide

2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propane-1-sulfonamide (PubChem CID 122277004) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propane-1-sulfonamide
PubChem CID122277004
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCc1nccnc1-c1ccsc1
InChIInChI=1S/C13H17N3O2S2/c1-10(2)9-20(17,18)16-7-12-13(15-5-4-14-12)11-3-6-19-8-11/h3-6,8,10,16H,7,9H2,1-2H3
InChIKeyRMSDDGHXEYVZSC-UHFFFAOYSA-N
XLogP2.28
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propane-1-sulfonamide (CID 122277004) is 2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propane-1-sulfonamide is CC(C)CS(=O)(=O)NCc1nccnc1-c1ccsc1.
What is the InChIKey of 2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propane-1-sulfonamide?
The InChIKey is RMSDDGHXEYVZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-10(2)9-20(17,18)16-7-12-13(15-5-4-14-12)11-3-6-19-8-11/h3-6,8,10,16H,7,9H2,1-2H3.
What are the key properties of 2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propane-1-sulfonamide?
2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propane-1-sulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 122277004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).