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

C10H17N3OS — CID 139580372

IUPAC2-methyl-N-(1-pyrazin-2-ylethyl)propane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)c1cnccn1
InChIInChI=1S/C10H17N3OS/c1-8(9-7-11-5-6-12-9)13-15(14)10(2,3)4/h5-8,13H,1-4H3
InChIKeyNSBDJKVPELSNNS-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.59
Rot. Bonds3

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

2-methyl-N-(1-pyrazin-2-ylethyl)propane-2-sulfinamide (PubChem CID 139580372) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-methyl-N-(1-pyrazin-2-ylethyl)propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-(1-pyrazin-2-ylethyl)propane-2-sulfinamide
PubChem CID139580372
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-methyl-N-(1-pyrazin-2-ylethyl)propane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)c1cnccn1
InChIInChI=1S/C10H17N3OS/c1-8(9-7-11-5-6-12-9)13-15(14)10(2,3)4/h5-8,13H,1-4H3
InChIKeyNSBDJKVPELSNNS-UHFFFAOYSA-N
XLogP1.59
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.59
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-ylethyl)propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-(1-pyrazin-2-ylethyl)propane-2-sulfinamide (CID 139580372) is 2-methyl-N-(1-pyrazin-2-ylethyl)propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-(1-pyrazin-2-ylethyl)propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-(1-pyrazin-2-ylethyl)propane-2-sulfinamide is CC(NS(=O)C(C)(C)C)c1cnccn1.
What is the InChIKey of 2-methyl-N-(1-pyrazin-2-ylethyl)propane-2-sulfinamide?
The InChIKey is NSBDJKVPELSNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-8(9-7-11-5-6-12-9)13-15(14)10(2,3)4/h5-8,13H,1-4H3.
What are the key properties of 2-methyl-N-(1-pyrazin-2-ylethyl)propane-2-sulfinamide?
2-methyl-N-(1-pyrazin-2-ylethyl)propane-2-sulfinamide has a molecular weight of 227.33 g/mol, XLogP of 1.59, 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-ylethyl)propane-2-sulfinamide is sourced from PubChem (CID 139580372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).