[3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine

C13H25N3O3S — CID 63169895

IUPAC[3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine
SMILESNCC1(N2CCC(N3CCOCC3)C2)CCS(=O)(=O)C1
InChIInChI=1S/C13H25N3O3S/c14-10-13(2-8-20(17,18)11-13)16-3-1-12(9-16)15-4-6-19-7-5-15/h12H,1-11,14H2
InChIKeyDATOLJWESWRWGI-UHFFFAOYSA-N
MW303.43 g/mol
LogP-1.09
Rot. Bonds3

About [3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine

[3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine (PubChem CID 63169895) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is [3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine
PubChem CID63169895
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name[3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine
SMILESNCC1(N2CCC(N3CCOCC3)C2)CCS(=O)(=O)C1
InChIInChI=1S/C13H25N3O3S/c14-10-13(2-8-20(17,18)11-13)16-3-1-12(9-16)15-4-6-19-7-5-15/h12H,1-11,14H2
InChIKeyDATOLJWESWRWGI-UHFFFAOYSA-N
XLogP-1.09
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine 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 [3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine?
The IUPAC name of [3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine (CID 63169895) is [3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine.
What is the SMILES notation for [3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine?
The canonical SMILES for [3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine is NCC1(N2CCC(N3CCOCC3)C2)CCS(=O)(=O)C1.
What is the InChIKey of [3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine?
The InChIKey is DATOLJWESWRWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c14-10-13(2-8-20(17,18)11-13)16-3-1-12(9-16)15-4-6-19-7-5-15/h12H,1-11,14H2.
What are the key properties of [3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine?
[3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine has a molecular weight of 303.43 g/mol, XLogP of -1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine is sourced from PubChem (CID 63169895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).