(3R)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine

C7H17N3O3S — CID 104978707

IUPAC(3R)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine
SMILESCOCCNS(=O)(=O)N[C@@H]1CCNC1
InChIInChI=1S/C7H17N3O3S/c1-13-5-4-9-14(11,12)10-7-2-3-8-6-7/h7-10H,2-6H2,1H3/t7-/m1/s1
InChIKeyOYEHSVVEKVFGBH-SSDOTTSWSA-N
MW223.30 g/mol
LogP-1.58
Rot. Bonds6

About (3R)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine

(3R)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine (PubChem CID 104978707) has the molecular formula C7H17N3O3S and a molecular weight of 223.30 g/mol. Its IUPAC name is (3R)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine
PubChem CID104978707
Molecular FormulaC7H17N3O3S
Molecular Weight223.30 g/mol
Exact Mass223.10
IUPAC Name(3R)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine
SMILESCOCCNS(=O)(=O)N[C@@H]1CCNC1
InChIInChI=1S/C7H17N3O3S/c1-13-5-4-9-14(11,12)10-7-2-3-8-6-7/h7-10H,2-6H2,1H3/t7-/m1/s1
InChIKeyOYEHSVVEKVFGBH-SSDOTTSWSA-N
XLogP-1.58
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine 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 (3R)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine (CID 104978707) is (3R)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine is COCCNS(=O)(=O)N[C@@H]1CCNC1.
What is the InChIKey of (3R)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine?
The InChIKey is OYEHSVVEKVFGBH-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H17N3O3S/c1-13-5-4-9-14(11,12)10-7-2-3-8-6-7/h7-10H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (3R)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine?
(3R)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine has a molecular weight of 223.30 g/mol, XLogP of -1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine is sourced from PubChem (CID 104978707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).