4-(3-methoxypropyl)-N,N-dimethylpiperazine-1-sulfonamide

C10H23N3O3S — CID 113073401

IUPAC4-(3-methoxypropyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCOCCCN1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C10H23N3O3S/c1-11(2)17(14,15)13-8-6-12(7-9-13)5-4-10-16-3/h4-10H2,1-3H3
InChIKeyOZQMDMWJTJSESL-UHFFFAOYSA-N
MW265.38 g/mol
LogP-0.55
Rot. Bonds6

About 4-(3-methoxypropyl)-N,N-dimethylpiperazine-1-sulfonamide

4-(3-methoxypropyl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 113073401) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-(3-methoxypropyl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3-methoxypropyl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID113073401
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name4-(3-methoxypropyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCOCCCN1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C10H23N3O3S/c1-11(2)17(14,15)13-8-6-12(7-9-13)5-4-10-16-3/h4-10H2,1-3H3
InChIKeyOZQMDMWJTJSESL-UHFFFAOYSA-N
XLogP-0.55
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.55
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-(3-methoxypropyl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(3-methoxypropyl)-N,N-dimethylpiperazine-1-sulfonamide (CID 113073401) is 4-(3-methoxypropyl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(3-methoxypropyl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(3-methoxypropyl)-N,N-dimethylpiperazine-1-sulfonamide is COCCCN1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of 4-(3-methoxypropyl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is OZQMDMWJTJSESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-11(2)17(14,15)13-8-6-12(7-9-13)5-4-10-16-3/h4-10H2,1-3H3.
What are the key properties of 4-(3-methoxypropyl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(3-methoxypropyl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 265.38 g/mol, XLogP of -0.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropyl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 113073401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).