4-(3-methoxypropyl)piperazine-1-sulfonamide

C8H19N3O3S — CID 60506061

IUPAC4-(3-methoxypropyl)piperazine-1-sulfonamide
SMILESCOCCCN1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C8H19N3O3S/c1-14-8-2-3-10-4-6-11(7-5-10)15(9,12)13/h2-8H2,1H3,(H2,9,12,13)
InChIKeyJRFVPHBALRGXPV-UHFFFAOYSA-N
MW237.32 g/mol
LogP-1.16
Rot. Bonds5

About 4-(3-methoxypropyl)piperazine-1-sulfonamide

4-(3-methoxypropyl)piperazine-1-sulfonamide (PubChem CID 60506061) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-(3-methoxypropyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3-methoxypropyl)piperazine-1-sulfonamide
PubChem CID60506061
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC Name4-(3-methoxypropyl)piperazine-1-sulfonamide
SMILESCOCCCN1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C8H19N3O3S/c1-14-8-2-3-10-4-6-11(7-5-10)15(9,12)13/h2-8H2,1H3,(H2,9,12,13)
InChIKeyJRFVPHBALRGXPV-UHFFFAOYSA-N
XLogP-1.16
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
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)piperazine-1-sulfonamide?
The IUPAC name of 4-(3-methoxypropyl)piperazine-1-sulfonamide (CID 60506061) is 4-(3-methoxypropyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(3-methoxypropyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(3-methoxypropyl)piperazine-1-sulfonamide is COCCCN1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-(3-methoxypropyl)piperazine-1-sulfonamide?
The InChIKey is JRFVPHBALRGXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-14-8-2-3-10-4-6-11(7-5-10)15(9,12)13/h2-8H2,1H3,(H2,9,12,13).
What are the key properties of 4-(3-methoxypropyl)piperazine-1-sulfonamide?
4-(3-methoxypropyl)piperazine-1-sulfonamide has a molecular weight of 237.32 g/mol, XLogP of -1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropyl)piperazine-1-sulfonamide is sourced from PubChem (CID 60506061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).