3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide

C15H27N5O2S — CID 91834806

IUPAC3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide
SMILESCc1cnc(C)c(N2CCN(CCCS(=O)(=O)N(C)C)CC2)n1
InChIInChI=1S/C15H27N5O2S/c1-13-12-16-14(2)15(17-13)20-9-7-19(8-10-20)6-5-11-23(21,22)18(3)4/h12H,5-11H2,1-4H3
InChIKeyKCLWQFKMZVEEAR-UHFFFAOYSA-N
MW341.48 g/mol
LogP0.50
Rot. Bonds6

About 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide

3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide (PubChem CID 91834806) has the molecular formula C15H27N5O2S and a molecular weight of 341.48 g/mol. Its IUPAC name is 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide
PubChem CID91834806
Molecular FormulaC15H27N5O2S
Molecular Weight341.48 g/mol
Exact Mass341.19
IUPAC Name3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide
SMILESCc1cnc(C)c(N2CCN(CCCS(=O)(=O)N(C)C)CC2)n1
InChIInChI=1S/C15H27N5O2S/c1-13-12-16-14(2)15(17-13)20-9-7-19(8-10-20)6-5-11-23(21,22)18(3)4/h12H,5-11H2,1-4H3
InChIKeyKCLWQFKMZVEEAR-UHFFFAOYSA-N
XLogP0.50
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide (CID 91834806) is 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide is Cc1cnc(C)c(N2CCN(CCCS(=O)(=O)N(C)C)CC2)n1.
What is the InChIKey of 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
The InChIKey is KCLWQFKMZVEEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2S/c1-13-12-16-14(2)15(17-13)20-9-7-19(8-10-20)6-5-11-23(21,22)18(3)4/h12H,5-11H2,1-4H3.
What are the key properties of 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide has a molecular weight of 341.48 g/mol, XLogP of 0.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 91834806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).