N-propan-2-yl-1-pyrazin-2-ylethanesulfonamide

C9H15N3O2S — CID 71633121

IUPACN-propan-2-yl-1-pyrazin-2-ylethanesulfonamide
SMILESCC(C)NS(=O)(=O)C(C)c1cnccn1
InChIInChI=1S/C9H15N3O2S/c1-7(2)12-15(13,14)8(3)9-6-10-4-5-11-9/h4-8,12H,1-3H3
InChIKeyLLNYZSQYHCHMKL-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.87
Rot. Bonds4

About N-propan-2-yl-1-pyrazin-2-ylethanesulfonamide

N-propan-2-yl-1-pyrazin-2-ylethanesulfonamide (PubChem CID 71633121) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is N-propan-2-yl-1-pyrazin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-1-pyrazin-2-ylethanesulfonamide
PubChem CID71633121
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC NameN-propan-2-yl-1-pyrazin-2-ylethanesulfonamide
SMILESCC(C)NS(=O)(=O)C(C)c1cnccn1
InChIInChI=1S/C9H15N3O2S/c1-7(2)12-15(13,14)8(3)9-6-10-4-5-11-9/h4-8,12H,1-3H3
InChIKeyLLNYZSQYHCHMKL-UHFFFAOYSA-N
XLogP0.87
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-pyrazin-2-ylethanesulfonamide?
The IUPAC name of N-propan-2-yl-1-pyrazin-2-ylethanesulfonamide (CID 71633121) is N-propan-2-yl-1-pyrazin-2-ylethanesulfonamide.
What is the SMILES notation for N-propan-2-yl-1-pyrazin-2-ylethanesulfonamide?
The canonical SMILES for N-propan-2-yl-1-pyrazin-2-ylethanesulfonamide is CC(C)NS(=O)(=O)C(C)c1cnccn1.
What is the InChIKey of N-propan-2-yl-1-pyrazin-2-ylethanesulfonamide?
The InChIKey is LLNYZSQYHCHMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-7(2)12-15(13,14)8(3)9-6-10-4-5-11-9/h4-8,12H,1-3H3.
What are the key properties of N-propan-2-yl-1-pyrazin-2-ylethanesulfonamide?
N-propan-2-yl-1-pyrazin-2-ylethanesulfonamide has a molecular weight of 229.31 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-pyrazin-2-ylethanesulfonamide is sourced from PubChem (CID 71633121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).