N-[6-(2-methoxyethoxy)-3-pyridinyl]piperazine-1-sulfonamide

C12H20N4O4S — CID 61254488

IUPACN-[6-(2-methoxyethoxy)-3-pyridinyl]piperazine-1-sulfonamide
SMILESCOCCOc1ccc(NS(=O)(=O)N2CCNCC2)cn1
InChIInChI=1S/C12H20N4O4S/c1-19-8-9-20-12-3-2-11(10-14-12)15-21(17,18)16-6-4-13-5-7-16/h2-3,10,13,15H,4-9H2,1H3
InChIKeyUFFAAVMUXXONCK-UHFFFAOYSA-N
MW316.38 g/mol
LogP-0.33
Rot. Bonds7

About N-[6-(2-methoxyethoxy)-3-pyridinyl]piperazine-1-sulfonamide

N-[6-(2-methoxyethoxy)-3-pyridinyl]piperazine-1-sulfonamide (PubChem CID 61254488) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[6-(2-methoxyethoxy)-3-pyridinyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(2-methoxyethoxy)-3-pyridinyl]piperazine-1-sulfonamide
PubChem CID61254488
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC NameN-[6-(2-methoxyethoxy)-3-pyridinyl]piperazine-1-sulfonamide
SMILESCOCCOc1ccc(NS(=O)(=O)N2CCNCC2)cn1
InChIInChI=1S/C12H20N4O4S/c1-19-8-9-20-12-3-2-11(10-14-12)15-21(17,18)16-6-4-13-5-7-16/h2-3,10,13,15H,4-9H2,1H3
InChIKeyUFFAAVMUXXONCK-UHFFFAOYSA-N
XLogP-0.33
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxyethoxy)-3-pyridinyl]piperazine-1-sulfonamide?
The IUPAC name of N-[6-(2-methoxyethoxy)-3-pyridinyl]piperazine-1-sulfonamide (CID 61254488) is N-[6-(2-methoxyethoxy)-3-pyridinyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[6-(2-methoxyethoxy)-3-pyridinyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[6-(2-methoxyethoxy)-3-pyridinyl]piperazine-1-sulfonamide is COCCOc1ccc(NS(=O)(=O)N2CCNCC2)cn1.
What is the InChIKey of N-[6-(2-methoxyethoxy)-3-pyridinyl]piperazine-1-sulfonamide?
The InChIKey is UFFAAVMUXXONCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-19-8-9-20-12-3-2-11(10-14-12)15-21(17,18)16-6-4-13-5-7-16/h2-3,10,13,15H,4-9H2,1H3.
What are the key properties of N-[6-(2-methoxyethoxy)-3-pyridinyl]piperazine-1-sulfonamide?
N-[6-(2-methoxyethoxy)-3-pyridinyl]piperazine-1-sulfonamide has a molecular weight of 316.38 g/mol, XLogP of -0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyethoxy)-3-pyridinyl]piperazine-1-sulfonamide is sourced from PubChem (CID 61254488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).