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

C9H17ClN2OS — CID 77137474

IUPACpyrrolidin-2-yl(thiomorpholin-4-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCCN1)N1CCSCC1
InChIInChI=1S/C9H16N2OS.ClH/c12-9(8-2-1-3-10-8)11-4-6-13-7-5-11;/h8,10H,1-7H2;1H
InChIKeyXOVYRIUPUNUMHA-UHFFFAOYSA-N
MW236.77 g/mol
LogP0.74
Rot. Bonds1

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

pyrrolidin-2-yl(thiomorpholin-4-yl)methanone;hydrochloride (PubChem CID 77137474) has the molecular formula C9H17ClN2OS and a molecular weight of 236.77 g/mol. Its IUPAC name is pyrrolidin-2-yl(thiomorpholin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Namepyrrolidin-2-yl(thiomorpholin-4-yl)methanone;hydrochloride
PubChem CID77137474
Molecular FormulaC9H17ClN2OS
Molecular Weight236.77 g/mol
Exact Mass236.08
IUPAC Namepyrrolidin-2-yl(thiomorpholin-4-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCCN1)N1CCSCC1
InChIInChI=1S/C9H16N2OS.ClH/c12-9(8-2-1-3-10-8)11-4-6-13-7-5-11;/h8,10H,1-7H2;1H
InChIKeyXOVYRIUPUNUMHA-UHFFFAOYSA-N
XLogP0.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.77
LogP ≤ 50.74
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;hydrochloride?
The IUPAC name of pyrrolidin-2-yl(thiomorpholin-4-yl)methanone;hydrochloride (CID 77137474) is pyrrolidin-2-yl(thiomorpholin-4-yl)methanone;hydrochloride.
What is the SMILES notation for pyrrolidin-2-yl(thiomorpholin-4-yl)methanone;hydrochloride?
The canonical SMILES for pyrrolidin-2-yl(thiomorpholin-4-yl)methanone;hydrochloride is Cl.O=C(C1CCCN1)N1CCSCC1.
What is the InChIKey of pyrrolidin-2-yl(thiomorpholin-4-yl)methanone;hydrochloride?
The InChIKey is XOVYRIUPUNUMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS.ClH/c12-9(8-2-1-3-10-8)11-4-6-13-7-5-11;/h8,10H,1-7H2;1H.
What are the key properties of pyrrolidin-2-yl(thiomorpholin-4-yl)methanone;hydrochloride?
pyrrolidin-2-yl(thiomorpholin-4-yl)methanone;hydrochloride has a molecular weight of 236.77 g/mol, XLogP of 0.74, 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;hydrochloride is sourced from PubChem (CID 77137474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).