2-methyl-N-(1-pyrazin-2-ylcyclobutyl)propane-2-sulfinamide

C12H19N3OS — CID 134177525

IUPAC2-methyl-N-(1-pyrazin-2-ylcyclobutyl)propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1(c2cnccn2)CCC1
InChIInChI=1S/C12H19N3OS/c1-11(2,3)17(16)15-12(5-4-6-12)10-9-13-7-8-14-10/h7-9,15H,4-6H2,1-3H3
InChIKeyHMNKQEKJLRYVHQ-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.91
Rot. Bonds3

About 2-methyl-N-(1-pyrazin-2-ylcyclobutyl)propane-2-sulfinamide

2-methyl-N-(1-pyrazin-2-ylcyclobutyl)propane-2-sulfinamide (PubChem CID 134177525) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-methyl-N-(1-pyrazin-2-ylcyclobutyl)propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-(1-pyrazin-2-ylcyclobutyl)propane-2-sulfinamide
PubChem CID134177525
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-methyl-N-(1-pyrazin-2-ylcyclobutyl)propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1(c2cnccn2)CCC1
InChIInChI=1S/C12H19N3OS/c1-11(2,3)17(16)15-12(5-4-6-12)10-9-13-7-8-14-10/h7-9,15H,4-6H2,1-3H3
InChIKeyHMNKQEKJLRYVHQ-UHFFFAOYSA-N
XLogP1.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-pyrazin-2-ylcyclobutyl)propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-(1-pyrazin-2-ylcyclobutyl)propane-2-sulfinamide (CID 134177525) is 2-methyl-N-(1-pyrazin-2-ylcyclobutyl)propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-(1-pyrazin-2-ylcyclobutyl)propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-(1-pyrazin-2-ylcyclobutyl)propane-2-sulfinamide is CC(C)(C)S(=O)NC1(c2cnccn2)CCC1.
What is the InChIKey of 2-methyl-N-(1-pyrazin-2-ylcyclobutyl)propane-2-sulfinamide?
The InChIKey is HMNKQEKJLRYVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-11(2,3)17(16)15-12(5-4-6-12)10-9-13-7-8-14-10/h7-9,15H,4-6H2,1-3H3.
What are the key properties of 2-methyl-N-(1-pyrazin-2-ylcyclobutyl)propane-2-sulfinamide?
2-methyl-N-(1-pyrazin-2-ylcyclobutyl)propane-2-sulfinamide has a molecular weight of 253.37 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-pyrazin-2-ylcyclobutyl)propane-2-sulfinamide is sourced from PubChem (CID 134177525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).