N-propan-2-yl-1-[6-(propan-2-ylsulfamoylmethyl)pyrazin-2-yl]methanesulfonamide

C12H22N4O4S2 — CID 139317371

IUPACN-propan-2-yl-1-[6-(propan-2-ylsulfamoylmethyl)pyrazin-2-yl]methanesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1cncc(CS(=O)(=O)NC(C)C)n1
InChIInChI=1S/C12H22N4O4S2/c1-9(2)15-21(17,18)7-11-5-13-6-12(14-11)8-22(19,20)16-10(3)4/h5-6,9-10,15-16H,7-8H2,1-4H3
InChIKeyRVUKCRFGEYLRTL-UHFFFAOYSA-N
MW350.47 g/mol
LogP0.13
Rot. Bonds8

About N-propan-2-yl-1-[6-(propan-2-ylsulfamoylmethyl)pyrazin-2-yl]methanesulfonamide

N-propan-2-yl-1-[6-(propan-2-ylsulfamoylmethyl)pyrazin-2-yl]methanesulfonamide (PubChem CID 139317371) has the molecular formula C12H22N4O4S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-propan-2-yl-1-[6-(propan-2-ylsulfamoylmethyl)pyrazin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-1-[6-(propan-2-ylsulfamoylmethyl)pyrazin-2-yl]methanesulfonamide
PubChem CID139317371
Molecular FormulaC12H22N4O4S2
Molecular Weight350.47 g/mol
Exact Mass350.11
IUPAC NameN-propan-2-yl-1-[6-(propan-2-ylsulfamoylmethyl)pyrazin-2-yl]methanesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1cncc(CS(=O)(=O)NC(C)C)n1
InChIInChI=1S/C12H22N4O4S2/c1-9(2)15-21(17,18)7-11-5-13-6-12(14-11)8-22(19,20)16-10(3)4/h5-6,9-10,15-16H,7-8H2,1-4H3
InChIKeyRVUKCRFGEYLRTL-UHFFFAOYSA-N
XLogP0.13
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-[6-(propan-2-ylsulfamoylmethyl)pyrazin-2-yl]methanesulfonamide?
The IUPAC name of N-propan-2-yl-1-[6-(propan-2-ylsulfamoylmethyl)pyrazin-2-yl]methanesulfonamide (CID 139317371) is N-propan-2-yl-1-[6-(propan-2-ylsulfamoylmethyl)pyrazin-2-yl]methanesulfonamide.
What is the SMILES notation for N-propan-2-yl-1-[6-(propan-2-ylsulfamoylmethyl)pyrazin-2-yl]methanesulfonamide?
The canonical SMILES for N-propan-2-yl-1-[6-(propan-2-ylsulfamoylmethyl)pyrazin-2-yl]methanesulfonamide is CC(C)NS(=O)(=O)Cc1cncc(CS(=O)(=O)NC(C)C)n1.
What is the InChIKey of N-propan-2-yl-1-[6-(propan-2-ylsulfamoylmethyl)pyrazin-2-yl]methanesulfonamide?
The InChIKey is RVUKCRFGEYLRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4S2/c1-9(2)15-21(17,18)7-11-5-13-6-12(14-11)8-22(19,20)16-10(3)4/h5-6,9-10,15-16H,7-8H2,1-4H3.
What are the key properties of N-propan-2-yl-1-[6-(propan-2-ylsulfamoylmethyl)pyrazin-2-yl]methanesulfonamide?
N-propan-2-yl-1-[6-(propan-2-ylsulfamoylmethyl)pyrazin-2-yl]methanesulfonamide has a molecular weight of 350.47 g/mol, XLogP of 0.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-[6-(propan-2-ylsulfamoylmethyl)pyrazin-2-yl]methanesulfonamide is sourced from PubChem (CID 139317371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).