N-(3-morpholin-4-ylpropyl)-1,1-dioxothiolan-3-amine

C11H22N2O3S — CID 3144943

IUPACN-(3-morpholin-4-ylpropyl)-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NCCCN2CCOCC2)C1
InChIInChI=1S/C11H22N2O3S/c14-17(15)9-2-11(10-17)12-3-1-4-13-5-7-16-8-6-13/h11-12H,1-10H2
InChIKeySETQMGXGFXNVLG-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.51
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)-1,1-dioxothiolan-3-amine

N-(3-morpholin-4-ylpropyl)-1,1-dioxothiolan-3-amine (PubChem CID 3144943) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1,1-dioxothiolan-3-amine
PubChem CID3144943
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-(3-morpholin-4-ylpropyl)-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NCCCN2CCOCC2)C1
InChIInChI=1S/C11H22N2O3S/c14-17(15)9-2-11(10-17)12-3-1-4-13-5-7-16-8-6-13/h11-12H,1-10H2
InChIKeySETQMGXGFXNVLG-UHFFFAOYSA-N
XLogP-0.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-(3-morpholin-4-ylpropyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1,1-dioxothiolan-3-amine (CID 3144943) is N-(3-morpholin-4-ylpropyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1,1-dioxothiolan-3-amine is O=S1(=O)CCC(NCCCN2CCOCC2)C1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1,1-dioxothiolan-3-amine?
The InChIKey is SETQMGXGFXNVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c14-17(15)9-2-11(10-17)12-3-1-4-13-5-7-16-8-6-13/h11-12H,1-10H2.
What are the key properties of N-(3-morpholin-4-ylpropyl)-1,1-dioxothiolan-3-amine?
N-(3-morpholin-4-ylpropyl)-1,1-dioxothiolan-3-amine has a molecular weight of 262.37 g/mol, XLogP of -0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 3144943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).