ethanol;piperazine-1-sulfonamide

C6H17N3O3S — CID 67346841

IUPACethanol;piperazine-1-sulfonamide
SMILESCCO.NS(=O)(=O)N1CCNCC1
InChIInChI=1S/C4H11N3O2S.C2H6O/c5-10(8,9)7-3-1-6-2-4-7;1-2-3/h6H,1-4H2,(H2,5,8,9);3H,2H2,1H3
InChIKeyCHTYAUQWBPYKKV-UHFFFAOYSA-N
MW211.29 g/mol
LogP-1.91
Rot. Bonds1

About ethanol;piperazine-1-sulfonamide

ethanol;piperazine-1-sulfonamide (PubChem CID 67346841) has the molecular formula C6H17N3O3S and a molecular weight of 211.29 g/mol. Its IUPAC name is ethanol;piperazine-1-sulfonamide.

Molecular Properties

Compound Nameethanol;piperazine-1-sulfonamide
PubChem CID67346841
Molecular FormulaC6H17N3O3S
Molecular Weight211.29 g/mol
Exact Mass211.10
IUPAC Nameethanol;piperazine-1-sulfonamide
SMILESCCO.NS(=O)(=O)N1CCNCC1
InChIInChI=1S/C4H11N3O2S.C2H6O/c5-10(8,9)7-3-1-6-2-4-7;1-2-3/h6H,1-4H2,(H2,5,8,9);3H,2H2,1H3
InChIKeyCHTYAUQWBPYKKV-UHFFFAOYSA-N
XLogP-1.91
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethanol;piperazine-1-sulfonamide?
The IUPAC name of ethanol;piperazine-1-sulfonamide (CID 67346841) is ethanol;piperazine-1-sulfonamide.
What is the SMILES notation for ethanol;piperazine-1-sulfonamide?
The canonical SMILES for ethanol;piperazine-1-sulfonamide is CCO.NS(=O)(=O)N1CCNCC1.
What is the InChIKey of ethanol;piperazine-1-sulfonamide?
The InChIKey is CHTYAUQWBPYKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O2S.C2H6O/c5-10(8,9)7-3-1-6-2-4-7;1-2-3/h6H,1-4H2,(H2,5,8,9);3H,2H2,1H3.
What are the key properties of ethanol;piperazine-1-sulfonamide?
ethanol;piperazine-1-sulfonamide has a molecular weight of 211.29 g/mol, XLogP of -1.91, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;piperazine-1-sulfonamide is sourced from PubChem (CID 67346841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).