2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride

C10H19ClN2OS — CID 119705182

IUPAC2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride
SMILESCl.O=C(CC1CCCN1)N1CCSCC1
InChIInChI=1S/C10H18N2OS.ClH/c13-10(8-9-2-1-3-11-9)12-4-6-14-7-5-12;/h9,11H,1-8H2;1H
InChIKeyZGCXWPSQOSAVAQ-UHFFFAOYSA-N
MW250.79 g/mol
LogP1.13
Rot. Bonds2

About 2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride

2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride (PubChem CID 119705182) has the molecular formula C10H19ClN2OS and a molecular weight of 250.79 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride
PubChem CID119705182
Molecular FormulaC10H19ClN2OS
Molecular Weight250.79 g/mol
Exact Mass250.09
IUPAC Name2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride
SMILESCl.O=C(CC1CCCN1)N1CCSCC1
InChIInChI=1S/C10H18N2OS.ClH/c13-10(8-9-2-1-3-11-9)12-4-6-14-7-5-12;/h9,11H,1-8H2;1H
InChIKeyZGCXWPSQOSAVAQ-UHFFFAOYSA-N
XLogP1.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.79
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone
CID 29083930
1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119887210
4-(2-pyrrolidin-2-ylacetyl)piperazine-1-sulfonamide;hydrochloride
CID 119701502
2,2-dimethyl-1-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119708849
1-(4-ethenylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119783256
1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119834001
1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62205259
1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119738163
2-pyrrolidin-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 61364492
4-(2-pyrrolidin-2-ylacetyl)piperazin-2-one;hydrochloride
CID 119681672
1-(4-ethoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 61364485

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride?
The IUPAC name of 2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride (CID 119705182) is 2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride?
The canonical SMILES for 2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride is Cl.O=C(CC1CCCN1)N1CCSCC1.
What is the InChIKey of 2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride?
The InChIKey is ZGCXWPSQOSAVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS.ClH/c13-10(8-9-2-1-3-11-9)12-4-6-14-7-5-12;/h9,11H,1-8H2;1H.
What are the key properties of 2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride?
2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride has a molecular weight of 250.79 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride is sourced from PubChem (CID 119705182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).