N-(3-propoxypropyl)piperazine-1-sulfonamide

C10H23N3O3S — CID 82943293

IUPACN-(3-propoxypropyl)piperazine-1-sulfonamide
SMILESCCCOCCCNS(=O)(=O)N1CCNCC1
InChIInChI=1S/C10H23N3O3S/c1-2-9-16-10-3-4-12-17(14,15)13-7-5-11-6-8-13/h11-12H,2-10H2,1H3
InChIKeyIGWUNOVUWHEKMU-UHFFFAOYSA-N
MW265.38 g/mol
LogP-0.46
Rot. Bonds8

About N-(3-propoxypropyl)piperazine-1-sulfonamide

N-(3-propoxypropyl)piperazine-1-sulfonamide (PubChem CID 82943293) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(3-propoxypropyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-propoxypropyl)piperazine-1-sulfonamide
PubChem CID82943293
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC NameN-(3-propoxypropyl)piperazine-1-sulfonamide
SMILESCCCOCCCNS(=O)(=O)N1CCNCC1
InChIInChI=1S/C10H23N3O3S/c1-2-9-16-10-3-4-12-17(14,15)13-7-5-11-6-8-13/h11-12H,2-10H2,1H3
InChIKeyIGWUNOVUWHEKMU-UHFFFAOYSA-N
XLogP-0.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(oxolan-2-ylmethoxy)propyl]piperazine-1-sulfonamide
CID 61254669
N-(2-methylsulfanylethyl)piperazine-1-sulfonamide
CID 63958312
N-[2-(methylamino)ethyl]piperazine-1-sulfonamide
CID 117126296
N-[3-(2-bromoethoxy)propyl]pyrrolidine-1-sulfonamide
CID 106304904
N-[2-[ethyl(propyl)amino]ethyl]piperazine-1-sulfonamide
CID 114134192
N-[2-[2-methoxyethyl(methyl)amino]ethyl]piperazine-1-sulfonamide
CID 55126821
N-(3-methoxypropyl)pyrrolidine-1-sulfonamide
CID 110705733
2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide
CID 82939966
N-(2-cyclohexylethyl)piperazine-1-sulfonamide
CID 54932858
1-(3-butoxypropylsulfamoyl)piperidine-3-carboxylic acid
CID 115596236
N-prop-2-ynylpiperazine-1-sulfonamide
CID 28775542
3-piperazin-1-yl-N-propylazetidine-1-sulfonamide
CID 114811018

Frequently Asked Questions

What is the IUPAC name of N-(3-propoxypropyl)piperazine-1-sulfonamide?
The IUPAC name of N-(3-propoxypropyl)piperazine-1-sulfonamide (CID 82943293) is N-(3-propoxypropyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(3-propoxypropyl)piperazine-1-sulfonamide?
The canonical SMILES for N-(3-propoxypropyl)piperazine-1-sulfonamide is CCCOCCCNS(=O)(=O)N1CCNCC1.
What is the InChIKey of N-(3-propoxypropyl)piperazine-1-sulfonamide?
The InChIKey is IGWUNOVUWHEKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-2-9-16-10-3-4-12-17(14,15)13-7-5-11-6-8-13/h11-12H,2-10H2,1H3.
What are the key properties of N-(3-propoxypropyl)piperazine-1-sulfonamide?
N-(3-propoxypropyl)piperazine-1-sulfonamide has a molecular weight of 265.38 g/mol, XLogP of -0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propoxypropyl)piperazine-1-sulfonamide is sourced from PubChem (CID 82943293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).