N-pentylpiperazine-1-sulfonamide

C9H21N3O2S — CID 28775697

IUPACN-pentylpiperazine-1-sulfonamide
SMILESCCCCCNS(=O)(=O)N1CCNCC1
InChIInChI=1S/C9H21N3O2S/c1-2-3-4-5-11-15(13,14)12-8-6-10-7-9-12/h10-11H,2-9H2,1H3
InChIKeyZTXVOWAOZUJWNC-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.08
Rot. Bonds6

About N-pentylpiperazine-1-sulfonamide

N-pentylpiperazine-1-sulfonamide (PubChem CID 28775697) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-pentylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-pentylpiperazine-1-sulfonamide
PubChem CID28775697
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC NameN-pentylpiperazine-1-sulfonamide
SMILESCCCCCNS(=O)(=O)N1CCNCC1
InChIInChI=1S/C9H21N3O2S/c1-2-3-4-5-11-15(13,14)12-8-6-10-7-9-12/h10-11H,2-9H2,1H3
InChIKeyZTXVOWAOZUJWNC-UHFFFAOYSA-N
XLogP-0.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-pentylpiperazine-1-sulfonamide?
The IUPAC name of N-pentylpiperazine-1-sulfonamide (CID 28775697) is N-pentylpiperazine-1-sulfonamide.
What is the SMILES notation for N-pentylpiperazine-1-sulfonamide?
The canonical SMILES for N-pentylpiperazine-1-sulfonamide is CCCCCNS(=O)(=O)N1CCNCC1.
What is the InChIKey of N-pentylpiperazine-1-sulfonamide?
The InChIKey is ZTXVOWAOZUJWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-2-3-4-5-11-15(13,14)12-8-6-10-7-9-12/h10-11H,2-9H2,1H3.
What are the key properties of N-pentylpiperazine-1-sulfonamide?
N-pentylpiperazine-1-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylpiperazine-1-sulfonamide is sourced from PubChem (CID 28775697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).