4-[2-(2-methoxyethoxy)acetyl]piperazine-1-sulfonamide

C9H19N3O5S — CID 113235213

IUPAC4-[2-(2-methoxyethoxy)acetyl]piperazine-1-sulfonamide
SMILESCOCCOCC(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C9H19N3O5S/c1-16-6-7-17-8-9(13)11-2-4-12(5-3-11)18(10,14)15/h2-8H2,1H3,(H2,10,14,15)
InChIKeyDHHKRRUOFHCICT-UHFFFAOYSA-N
MW281.33 g/mol
LogP-2.00
Rot. Bonds6

About 4-[2-(2-methoxyethoxy)acetyl]piperazine-1-sulfonamide

4-[2-(2-methoxyethoxy)acetyl]piperazine-1-sulfonamide (PubChem CID 113235213) has the molecular formula C9H19N3O5S and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)acetyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)acetyl]piperazine-1-sulfonamide
PubChem CID113235213
Molecular FormulaC9H19N3O5S
Molecular Weight281.33 g/mol
Exact Mass281.10
IUPAC Name4-[2-(2-methoxyethoxy)acetyl]piperazine-1-sulfonamide
SMILESCOCCOCC(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C9H19N3O5S/c1-16-6-7-17-8-9(13)11-2-4-12(5-3-11)18(10,14)15/h2-8H2,1H3,(H2,10,14,15)
InChIKeyDHHKRRUOFHCICT-UHFFFAOYSA-N
XLogP-2.00
TPSA102.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 5-2.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(azepan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60716245
1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 103601645
1-[4-(bromomethylsulfonyl)piperazin-1-yl]-2-methoxyethanone
CID 83083828
1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 108570041
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 4850064
4-[2-(2-methoxyethoxy)acetyl]-N,N-dimethylpiperazine-1-carboxamide
CID 108570063
1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 103601586
2-(2-methoxyethoxy)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone
CID 39768937
1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 103805372
2,2,2-trifluoro-1-[4-[2-(2-methoxyethoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 108543737
4-(2-methylsulfanylacetyl)piperazine-1-sulfonamide
CID 61130329
3-methoxy-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 108569718

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)acetyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[2-(2-methoxyethoxy)acetyl]piperazine-1-sulfonamide (CID 113235213) is 4-[2-(2-methoxyethoxy)acetyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)acetyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[2-(2-methoxyethoxy)acetyl]piperazine-1-sulfonamide is COCCOCC(=O)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-[2-(2-methoxyethoxy)acetyl]piperazine-1-sulfonamide?
The InChIKey is DHHKRRUOFHCICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O5S/c1-16-6-7-17-8-9(13)11-2-4-12(5-3-11)18(10,14)15/h2-8H2,1H3,(H2,10,14,15).
What are the key properties of 4-[2-(2-methoxyethoxy)acetyl]piperazine-1-sulfonamide?
4-[2-(2-methoxyethoxy)acetyl]piperazine-1-sulfonamide has a molecular weight of 281.33 g/mol, XLogP of -2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)acetyl]piperazine-1-sulfonamide is sourced from PubChem (CID 113235213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).