2-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-3-(oxolan-2-yl)propan-1-amine

C14H27NO4S — CID 62725175

IUPAC2-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCOCCNCC(CC1CCCO1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H27NO4S/c1-18-7-5-15-10-13(9-14-3-2-6-19-14)12-4-8-20(16,17)11-12/h12-15H,2-11H2,1H3
InChIKeyHAUYHCLDZQIMOC-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.84
Rot. Bonds8

About 2-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-3-(oxolan-2-yl)propan-1-amine

2-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 62725175) has the molecular formula C14H27NO4S and a molecular weight of 305.44 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID62725175
Molecular FormulaC14H27NO4S
Molecular Weight305.44 g/mol
Exact Mass305.17
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCOCCNCC(CC1CCCO1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H27NO4S/c1-18-7-5-15-10-13(9-14-3-2-6-19-14)12-4-8-20(16,17)11-12/h12-15H,2-11H2,1H3
InChIKeyHAUYHCLDZQIMOC-UHFFFAOYSA-N
XLogP0.84
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-3-(oxolan-2-yl)propan-1-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 2-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-3-(oxolan-2-yl)propan-1-amine (CID 62725175) is 2-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-3-(oxolan-2-yl)propan-1-amine is COCCNCC(CC1CCCO1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is HAUYHCLDZQIMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4S/c1-18-7-5-15-10-13(9-14-3-2-6-19-14)12-4-8-20(16,17)11-12/h12-15H,2-11H2,1H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-3-(oxolan-2-yl)propan-1-amine?
2-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 305.44 g/mol, XLogP of 0.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 62725175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).