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

C8H19N3O3S — CID 63767345

IUPACN-[2-(2-aminoethoxy)ethyl]pyrrolidine-1-sulfonamide
SMILESNCCOCCNS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H19N3O3S/c9-3-7-14-8-4-10-15(12,13)11-5-1-2-6-11/h10H,1-9H2
InChIKeyFPLFTKVNSSGLLO-UHFFFAOYSA-N
MW237.32 g/mol
LogP-1.11
Rot. Bonds7

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

N-[2-(2-aminoethoxy)ethyl]pyrrolidine-1-sulfonamide (PubChem CID 63767345) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]pyrrolidine-1-sulfonamide
PubChem CID63767345
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC NameN-[2-(2-aminoethoxy)ethyl]pyrrolidine-1-sulfonamide
SMILESNCCOCCNS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H19N3O3S/c9-3-7-14-8-4-10-15(12,13)11-5-1-2-6-11/h10H,1-9H2
InChIKeyFPLFTKVNSSGLLO-UHFFFAOYSA-N
XLogP-1.11
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-1.11
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-[2-(2-aminoethoxy)ethyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]pyrrolidine-1-sulfonamide (CID 63767345) is N-[2-(2-aminoethoxy)ethyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]pyrrolidine-1-sulfonamide is NCCOCCNS(=O)(=O)N1CCCC1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]pyrrolidine-1-sulfonamide?
The InChIKey is FPLFTKVNSSGLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c9-3-7-14-8-4-10-15(12,13)11-5-1-2-6-11/h10H,1-9H2.
What are the key properties of N-[2-(2-aminoethoxy)ethyl]pyrrolidine-1-sulfonamide?
N-[2-(2-aminoethoxy)ethyl]pyrrolidine-1-sulfonamide has a molecular weight of 237.32 g/mol, XLogP of -1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 63767345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).