N-[2-(2-hydroxypropylamino)ethyl]pyrrolidine-1-sulfonamide

C9H21N3O3S — CID 104594051

IUPACN-[2-(2-hydroxypropylamino)ethyl]pyrrolidine-1-sulfonamide
SMILESCC(O)CNCCNS(=O)(=O)N1CCCC1
InChIInChI=1S/C9H21N3O3S/c1-9(13)8-10-4-5-11-16(14,15)12-6-2-3-7-12/h9-11,13H,2-8H2,1H3
InChIKeyOYUIOPDUYJSDAH-UHFFFAOYSA-N
MW251.35 g/mol
LogP-1.11
Rot. Bonds7

About N-[2-(2-hydroxypropylamino)ethyl]pyrrolidine-1-sulfonamide

N-[2-(2-hydroxypropylamino)ethyl]pyrrolidine-1-sulfonamide (PubChem CID 104594051) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]pyrrolidine-1-sulfonamide
PubChem CID104594051
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]pyrrolidine-1-sulfonamide
SMILESCC(O)CNCCNS(=O)(=O)N1CCCC1
InChIInChI=1S/C9H21N3O3S/c1-9(13)8-10-4-5-11-16(14,15)12-6-2-3-7-12/h9-11,13H,2-8H2,1H3
InChIKeyOYUIOPDUYJSDAH-UHFFFAOYSA-N
XLogP-1.11
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-hydroxypropylamino)ethyl]pyrrolidine-1-sulfonamide 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-[2-(2-hydroxypropylamino)ethyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]pyrrolidine-1-sulfonamide (CID 104594051) is N-[2-(2-hydroxypropylamino)ethyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]pyrrolidine-1-sulfonamide is CC(O)CNCCNS(=O)(=O)N1CCCC1.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]pyrrolidine-1-sulfonamide?
The InChIKey is OYUIOPDUYJSDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-9(13)8-10-4-5-11-16(14,15)12-6-2-3-7-12/h9-11,13H,2-8H2,1H3.
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]pyrrolidine-1-sulfonamide?
N-[2-(2-hydroxypropylamino)ethyl]pyrrolidine-1-sulfonamide has a molecular weight of 251.35 g/mol, XLogP of -1.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 104594051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).