morpholin-4-yl-(3-sulfanylpyrrolidin-2-yl)methanone

C9H16N2O2S — CID 57194011

IUPACmorpholin-4-yl-(3-sulfanylpyrrolidin-2-yl)methanone
SMILESO=C(C1NCCC1S)N1CCOCC1
InChIInChI=1S/C9H16N2O2S/c12-9(8-7(14)1-2-10-8)11-3-5-13-6-4-11/h7-8,10,14H,1-6H2
InChIKeyVEVYDDXTXZNFPJ-UHFFFAOYSA-N
MW216.31 g/mol
LogP-0.49
Rot. Bonds1

About morpholin-4-yl-(3-sulfanylpyrrolidin-2-yl)methanone

morpholin-4-yl-(3-sulfanylpyrrolidin-2-yl)methanone (PubChem CID 57194011) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is morpholin-4-yl-(3-sulfanylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(3-sulfanylpyrrolidin-2-yl)methanone
PubChem CID57194011
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Namemorpholin-4-yl-(3-sulfanylpyrrolidin-2-yl)methanone
SMILESO=C(C1NCCC1S)N1CCOCC1
InChIInChI=1S/C9H16N2O2S/c12-9(8-7(14)1-2-10-8)11-3-5-13-6-4-11/h7-8,10,14H,1-6H2
InChIKeyVEVYDDXTXZNFPJ-UHFFFAOYSA-N
XLogP-0.49
TPSA41.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(3-sulfanylpyrrolidin-2-yl)methanone?
The IUPAC name of morpholin-4-yl-(3-sulfanylpyrrolidin-2-yl)methanone (CID 57194011) is morpholin-4-yl-(3-sulfanylpyrrolidin-2-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(3-sulfanylpyrrolidin-2-yl)methanone?
The canonical SMILES for morpholin-4-yl-(3-sulfanylpyrrolidin-2-yl)methanone is O=C(C1NCCC1S)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(3-sulfanylpyrrolidin-2-yl)methanone?
The InChIKey is VEVYDDXTXZNFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c12-9(8-7(14)1-2-10-8)11-3-5-13-6-4-11/h7-8,10,14H,1-6H2.
What are the key properties of morpholin-4-yl-(3-sulfanylpyrrolidin-2-yl)methanone?
morpholin-4-yl-(3-sulfanylpyrrolidin-2-yl)methanone has a molecular weight of 216.31 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(3-sulfanylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 57194011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).