N-(1-cyclopropylethyl)-2-piperazin-1-ylethanesulfonamide

C11H23N3O2S — CID 54971975

IUPACN-(1-cyclopropylethyl)-2-piperazin-1-ylethanesulfonamide
SMILESCC(NS(=O)(=O)CCN1CCNCC1)C1CC1
InChIInChI=1S/C11H23N3O2S/c1-10(11-2-3-11)13-17(15,16)9-8-14-6-4-12-5-7-14/h10-13H,2-9H2,1H3
InChIKeyALJGTURVXSIUHH-UHFFFAOYSA-N
MW261.39 g/mol
LogP-0.39
Rot. Bonds6

About N-(1-cyclopropylethyl)-2-piperazin-1-ylethanesulfonamide

N-(1-cyclopropylethyl)-2-piperazin-1-ylethanesulfonamide (PubChem CID 54971975) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-piperazin-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-piperazin-1-ylethanesulfonamide
PubChem CID54971975
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC NameN-(1-cyclopropylethyl)-2-piperazin-1-ylethanesulfonamide
SMILESCC(NS(=O)(=O)CCN1CCNCC1)C1CC1
InChIInChI=1S/C11H23N3O2S/c1-10(11-2-3-11)13-17(15,16)9-8-14-6-4-12-5-7-14/h10-13H,2-9H2,1H3
InChIKeyALJGTURVXSIUHH-UHFFFAOYSA-N
XLogP-0.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-cyclopropylethyl)-2-piperazin-1-ylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-piperazin-1-ylethanesulfonamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-piperazin-1-ylethanesulfonamide (CID 54971975) is N-(1-cyclopropylethyl)-2-piperazin-1-ylethanesulfonamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-piperazin-1-ylethanesulfonamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-piperazin-1-ylethanesulfonamide is CC(NS(=O)(=O)CCN1CCNCC1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-piperazin-1-ylethanesulfonamide?
The InChIKey is ALJGTURVXSIUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-10(11-2-3-11)13-17(15,16)9-8-14-6-4-12-5-7-14/h10-13H,2-9H2,1H3.
What are the key properties of N-(1-cyclopropylethyl)-2-piperazin-1-ylethanesulfonamide?
N-(1-cyclopropylethyl)-2-piperazin-1-ylethanesulfonamide has a molecular weight of 261.39 g/mol, XLogP of -0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-piperazin-1-ylethanesulfonamide is sourced from PubChem (CID 54971975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).