2-(cyclopenten-1-yl)-1-thiomorpholin-3-ylethanone

C11H17NOS — CID 130857171

IUPAC2-(cyclopenten-1-yl)-1-thiomorpholin-3-ylethanone
SMILESO=C(CC1=CCCC1)C1CSCCN1
InChIInChI=1S/C11H17NOS/c13-11(7-9-3-1-2-4-9)10-8-14-6-5-12-10/h3,10,12H,1-2,4-8H2
InChIKeyIROCELCDYLRTID-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.76
Rot. Bonds3

About 2-(cyclopenten-1-yl)-1-thiomorpholin-3-ylethanone

2-(cyclopenten-1-yl)-1-thiomorpholin-3-ylethanone (PubChem CID 130857171) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-1-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-1-thiomorpholin-3-ylethanone
PubChem CID130857171
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-(cyclopenten-1-yl)-1-thiomorpholin-3-ylethanone
SMILESO=C(CC1=CCCC1)C1CSCCN1
InChIInChI=1S/C11H17NOS/c13-11(7-9-3-1-2-4-9)10-8-14-6-5-12-10/h3,10,12H,1-2,4-8H2
InChIKeyIROCELCDYLRTID-UHFFFAOYSA-N
XLogP1.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609502
2-(2-methylphenyl)-1-thiomorpholin-3-ylethanone
CID 116609599
1-cyclobutyl-2-(cyclopenten-1-yl)ethanone
CID 130802985
2-(2-methyl-1,2,4-triazol-3-yl)-1-thiomorpholin-3-ylethanone
CID 116609655
2-(2,4-dichlorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609447
2-(6-ethylnaphthalen-2-yl)-1-thiomorpholin-3-ylethanone
CID 54573694
2-(2-chloro-3-fluorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609666
2-(2-chloro-4-fluorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609601
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiomorpholin-3-ylethanone
CID 116609481
2-(1-ethylindazol-3-yl)-1-thiomorpholin-3-ylethanone
CID 116609723
2,3-dihydrofuran-5-yl(thiomorpholin-3-yl)methanone
CID 102652614
1-thiomorpholin-3-ylpent-4-yn-1-one
CID 116609650

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-1-thiomorpholin-3-ylethanone?
The IUPAC name of 2-(cyclopenten-1-yl)-1-thiomorpholin-3-ylethanone (CID 130857171) is 2-(cyclopenten-1-yl)-1-thiomorpholin-3-ylethanone.
What is the SMILES notation for 2-(cyclopenten-1-yl)-1-thiomorpholin-3-ylethanone?
The canonical SMILES for 2-(cyclopenten-1-yl)-1-thiomorpholin-3-ylethanone is O=C(CC1=CCCC1)C1CSCCN1.
What is the InChIKey of 2-(cyclopenten-1-yl)-1-thiomorpholin-3-ylethanone?
The InChIKey is IROCELCDYLRTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c13-11(7-9-3-1-2-4-9)10-8-14-6-5-12-10/h3,10,12H,1-2,4-8H2.
What are the key properties of 2-(cyclopenten-1-yl)-1-thiomorpholin-3-ylethanone?
2-(cyclopenten-1-yl)-1-thiomorpholin-3-ylethanone has a molecular weight of 211.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-1-thiomorpholin-3-ylethanone is sourced from PubChem (CID 130857171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).