2-methyl-2-methylsulfonyl-N-(1-pyrazin-2-ylethyl)propan-1-amine

C11H19N3O2S — CID 79552239

IUPAC2-methyl-2-methylsulfonyl-N-(1-pyrazin-2-ylethyl)propan-1-amine
SMILESCC(NCC(C)(C)S(C)(=O)=O)c1cnccn1
InChIInChI=1S/C11H19N3O2S/c1-9(10-7-12-5-6-13-10)14-8-11(2,3)17(4,15)16/h5-7,9,14H,8H2,1-4H3
InChIKeyRBFSIZFWONATGA-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.95
Rot. Bonds5

About 2-methyl-2-methylsulfonyl-N-(1-pyrazin-2-ylethyl)propan-1-amine

2-methyl-2-methylsulfonyl-N-(1-pyrazin-2-ylethyl)propan-1-amine (PubChem CID 79552239) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-methyl-2-methylsulfonyl-N-(1-pyrazin-2-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-methylsulfonyl-N-(1-pyrazin-2-ylethyl)propan-1-amine
PubChem CID79552239
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name2-methyl-2-methylsulfonyl-N-(1-pyrazin-2-ylethyl)propan-1-amine
SMILESCC(NCC(C)(C)S(C)(=O)=O)c1cnccn1
InChIInChI=1S/C11H19N3O2S/c1-9(10-7-12-5-6-13-10)14-8-11(2,3)17(4,15)16/h5-7,9,14H,8H2,1-4H3
InChIKeyRBFSIZFWONATGA-UHFFFAOYSA-N
XLogP0.95
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfonyl-N-(1-pyrazin-2-ylethyl)propan-1-amine?
The IUPAC name of 2-methyl-2-methylsulfonyl-N-(1-pyrazin-2-ylethyl)propan-1-amine (CID 79552239) is 2-methyl-2-methylsulfonyl-N-(1-pyrazin-2-ylethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-methylsulfonyl-N-(1-pyrazin-2-ylethyl)propan-1-amine?
The canonical SMILES for 2-methyl-2-methylsulfonyl-N-(1-pyrazin-2-ylethyl)propan-1-amine is CC(NCC(C)(C)S(C)(=O)=O)c1cnccn1.
What is the InChIKey of 2-methyl-2-methylsulfonyl-N-(1-pyrazin-2-ylethyl)propan-1-amine?
The InChIKey is RBFSIZFWONATGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9(10-7-12-5-6-13-10)14-8-11(2,3)17(4,15)16/h5-7,9,14H,8H2,1-4H3.
What are the key properties of 2-methyl-2-methylsulfonyl-N-(1-pyrazin-2-ylethyl)propan-1-amine?
2-methyl-2-methylsulfonyl-N-(1-pyrazin-2-ylethyl)propan-1-amine has a molecular weight of 257.36 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfonyl-N-(1-pyrazin-2-ylethyl)propan-1-amine is sourced from PubChem (CID 79552239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).