N-[3-(2-aminoethoxy)propyl]pyrrolidine-1-sulfonamide

C9H21N3O3S — CID 106308130

IUPACN-[3-(2-aminoethoxy)propyl]pyrrolidine-1-sulfonamide
SMILESNCCOCCCNS(=O)(=O)N1CCCC1
InChIInChI=1S/C9H21N3O3S/c10-4-9-15-8-3-5-11-16(13,14)12-6-1-2-7-12/h11H,1-10H2
InChIKeyJTNAJUOSPVSCTK-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.72
Rot. Bonds8

About N-[3-(2-aminoethoxy)propyl]pyrrolidine-1-sulfonamide

N-[3-(2-aminoethoxy)propyl]pyrrolidine-1-sulfonamide (PubChem CID 106308130) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)propyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)propyl]pyrrolidine-1-sulfonamide
PubChem CID106308130
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC NameN-[3-(2-aminoethoxy)propyl]pyrrolidine-1-sulfonamide
SMILESNCCOCCCNS(=O)(=O)N1CCCC1
InChIInChI=1S/C9H21N3O3S/c10-4-9-15-8-3-5-11-16(13,14)12-6-1-2-7-12/h11H,1-10H2
InChIKeyJTNAJUOSPVSCTK-UHFFFAOYSA-N
XLogP-0.72
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.72
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)propyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[3-(2-aminoethoxy)propyl]pyrrolidine-1-sulfonamide (CID 106308130) is N-[3-(2-aminoethoxy)propyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)propyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[3-(2-aminoethoxy)propyl]pyrrolidine-1-sulfonamide is NCCOCCCNS(=O)(=O)N1CCCC1.
What is the InChIKey of N-[3-(2-aminoethoxy)propyl]pyrrolidine-1-sulfonamide?
The InChIKey is JTNAJUOSPVSCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c10-4-9-15-8-3-5-11-16(13,14)12-6-1-2-7-12/h11H,1-10H2.
What are the key properties of N-[3-(2-aminoethoxy)propyl]pyrrolidine-1-sulfonamide?
N-[3-(2-aminoethoxy)propyl]pyrrolidine-1-sulfonamide has a molecular weight of 251.35 g/mol, XLogP of -0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)propyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 106308130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).