N-(2-methoxyethyl)pyrrolidine-1-sulfinamide

C7H16N2O2S — CID 155587263

IUPACN-(2-methoxyethyl)pyrrolidine-1-sulfinamide
SMILESCOCCNS(=O)N1CCCC1
InChIInChI=1S/C7H16N2O2S/c1-11-7-4-8-12(10)9-5-2-3-6-9/h8H,2-7H2,1H3
InChIKeyFQDJSBACQIQLJE-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.10
Rot. Bonds5

About N-(2-methoxyethyl)pyrrolidine-1-sulfinamide

N-(2-methoxyethyl)pyrrolidine-1-sulfinamide (PubChem CID 155587263) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)pyrrolidine-1-sulfinamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)pyrrolidine-1-sulfinamide
PubChem CID155587263
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC NameN-(2-methoxyethyl)pyrrolidine-1-sulfinamide
SMILESCOCCNS(=O)N1CCCC1
InChIInChI=1S/C7H16N2O2S/c1-11-7-4-8-12(10)9-5-2-3-6-9/h8H,2-7H2,1H3
InChIKeyFQDJSBACQIQLJE-UHFFFAOYSA-N
XLogP-0.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)pyrrolidine-1-sulfinamide 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-methoxyethyl)pyrrolidine-1-sulfinamide?
The IUPAC name of N-(2-methoxyethyl)pyrrolidine-1-sulfinamide (CID 155587263) is N-(2-methoxyethyl)pyrrolidine-1-sulfinamide.
What is the SMILES notation for N-(2-methoxyethyl)pyrrolidine-1-sulfinamide?
The canonical SMILES for N-(2-methoxyethyl)pyrrolidine-1-sulfinamide is COCCNS(=O)N1CCCC1.
What is the InChIKey of N-(2-methoxyethyl)pyrrolidine-1-sulfinamide?
The InChIKey is FQDJSBACQIQLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-11-7-4-8-12(10)9-5-2-3-6-9/h8H,2-7H2,1H3.
What are the key properties of N-(2-methoxyethyl)pyrrolidine-1-sulfinamide?
N-(2-methoxyethyl)pyrrolidine-1-sulfinamide has a molecular weight of 192.28 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)pyrrolidine-1-sulfinamide is sourced from PubChem (CID 155587263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).