N-(2-piperazin-1-ylethyl)prop-2-ene-1-sulfonamide

C9H19N3O2S — CID 79674000

IUPACN-(2-piperazin-1-ylethyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NCCN1CCNCC1
InChIInChI=1S/C9H19N3O2S/c1-2-9-15(13,14)11-5-8-12-6-3-10-4-7-12/h2,10-11H,1,3-9H2
InChIKeyNIYGYUGELWKSRY-UHFFFAOYSA-N
MW233.34 g/mol
LogP-1.00
Rot. Bonds6

About N-(2-piperazin-1-ylethyl)prop-2-ene-1-sulfonamide

N-(2-piperazin-1-ylethyl)prop-2-ene-1-sulfonamide (PubChem CID 79674000) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)prop-2-ene-1-sulfonamide
PubChem CID79674000
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC NameN-(2-piperazin-1-ylethyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NCCN1CCNCC1
InChIInChI=1S/C9H19N3O2S/c1-2-9-15(13,14)11-5-8-12-6-3-10-4-7-12/h2,10-11H,1,3-9H2
InChIKeyNIYGYUGELWKSRY-UHFFFAOYSA-N
XLogP-1.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)prop-2-ene-1-sulfonamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)prop-2-ene-1-sulfonamide (CID 79674000) is N-(2-piperazin-1-ylethyl)prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)prop-2-ene-1-sulfonamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)NCCN1CCNCC1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)prop-2-ene-1-sulfonamide?
The InChIKey is NIYGYUGELWKSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-2-9-15(13,14)11-5-8-12-6-3-10-4-7-12/h2,10-11H,1,3-9H2.
What are the key properties of N-(2-piperazin-1-ylethyl)prop-2-ene-1-sulfonamide?
N-(2-piperazin-1-ylethyl)prop-2-ene-1-sulfonamide has a molecular weight of 233.34 g/mol, XLogP of -1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)prop-2-ene-1-sulfonamide is sourced from PubChem (CID 79674000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).