4-(4-methoxybutyl)-N,N-dimethylpiperazine-1-sulfonamide

C11H25N3O3S — CID 131931035

IUPAC4-(4-methoxybutyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCOCCCCN1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C11H25N3O3S/c1-12(2)18(15,16)14-9-7-13(8-10-14)6-4-5-11-17-3/h4-11H2,1-3H3
InChIKeyRGNSQLYUJWJSEX-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.16
Rot. Bonds7

About 4-(4-methoxybutyl)-N,N-dimethylpiperazine-1-sulfonamide

4-(4-methoxybutyl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 131931035) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is 4-(4-methoxybutyl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(4-methoxybutyl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID131931035
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC Name4-(4-methoxybutyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCOCCCCN1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C11H25N3O3S/c1-12(2)18(15,16)14-9-7-13(8-10-14)6-4-5-11-17-3/h4-11H2,1-3H3
InChIKeyRGNSQLYUJWJSEX-UHFFFAOYSA-N
XLogP-0.16
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-(4-methoxybutyl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(4-methoxybutyl)-N,N-dimethylpiperazine-1-sulfonamide (CID 131931035) is 4-(4-methoxybutyl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(4-methoxybutyl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(4-methoxybutyl)-N,N-dimethylpiperazine-1-sulfonamide is COCCCCN1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of 4-(4-methoxybutyl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is RGNSQLYUJWJSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-12(2)18(15,16)14-9-7-13(8-10-14)6-4-5-11-17-3/h4-11H2,1-3H3.
What are the key properties of 4-(4-methoxybutyl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(4-methoxybutyl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 279.41 g/mol, XLogP of -0.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybutyl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 131931035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).