pyrrolidin-2-yl(thiomorpholin-4-yl)methanone

C9H16N2OS — CID 43210689

IUPACpyrrolidin-2-yl(thiomorpholin-4-yl)methanone
SMILESO=C(C1CCCN1)N1CCSCC1
InChIInChI=1S/C9H16N2OS/c12-9(8-2-1-3-10-8)11-4-6-13-7-5-11/h8,10H,1-7H2
InChIKeyZIIAALYTCRMOJP-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.31
Rot. Bonds1

About pyrrolidin-2-yl(thiomorpholin-4-yl)methanone

pyrrolidin-2-yl(thiomorpholin-4-yl)methanone (PubChem CID 43210689) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is pyrrolidin-2-yl(thiomorpholin-4-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-2-yl(thiomorpholin-4-yl)methanone
PubChem CID43210689
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Namepyrrolidin-2-yl(thiomorpholin-4-yl)methanone
SMILESO=C(C1CCCN1)N1CCSCC1
InChIInChI=1S/C9H16N2OS/c12-9(8-2-1-3-10-8)11-4-6-13-7-5-11/h8,10H,1-7H2
InChIKeyZIIAALYTCRMOJP-UHFFFAOYSA-N
XLogP0.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-2-yl(thiomorpholin-4-yl)methanone?
The IUPAC name of pyrrolidin-2-yl(thiomorpholin-4-yl)methanone (CID 43210689) is pyrrolidin-2-yl(thiomorpholin-4-yl)methanone.
What is the SMILES notation for pyrrolidin-2-yl(thiomorpholin-4-yl)methanone?
The canonical SMILES for pyrrolidin-2-yl(thiomorpholin-4-yl)methanone is O=C(C1CCCN1)N1CCSCC1.
What is the InChIKey of pyrrolidin-2-yl(thiomorpholin-4-yl)methanone?
The InChIKey is ZIIAALYTCRMOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c12-9(8-2-1-3-10-8)11-4-6-13-7-5-11/h8,10H,1-7H2.
What are the key properties of pyrrolidin-2-yl(thiomorpholin-4-yl)methanone?
pyrrolidin-2-yl(thiomorpholin-4-yl)methanone has a molecular weight of 200.31 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-2-yl(thiomorpholin-4-yl)methanone is sourced from PubChem (CID 43210689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).