2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(oxolan-3-ylmethyl)ethanamine

C10H20N2O3S — CID 62566916

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESO=S1(=O)CCCN1CCNCC1CCOC1
InChIInChI=1S/C10H20N2O3S/c13-16(14)7-1-4-12(16)5-3-11-8-10-2-6-15-9-10/h10-11H,1-9H2
InChIKeyWQDOONVASDHTPW-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.35
Rot. Bonds5

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(oxolan-3-ylmethyl)ethanamine

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 62566916) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID62566916
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESO=S1(=O)CCCN1CCNCC1CCOC1
InChIInChI=1S/C10H20N2O3S/c13-16(14)7-1-4-12(16)5-3-11-8-10-2-6-15-9-10/h10-11H,1-9H2
InChIKeyWQDOONVASDHTPW-UHFFFAOYSA-N
XLogP-0.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
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 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(oxolan-3-ylmethyl)ethanamine (CID 62566916) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(oxolan-3-ylmethyl)ethanamine is O=S1(=O)CCCN1CCNCC1CCOC1.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is WQDOONVASDHTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c13-16(14)7-1-4-12(16)5-3-11-8-10-2-6-15-9-10/h10-11H,1-9H2.
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(oxolan-3-ylmethyl)ethanamine?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 248.35 g/mol, XLogP of -0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 62566916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).