2-cyclopentylsulfanyl-1-piperazin-1-ylethanone

C11H20N2OS — CID 63115302

IUPAC2-cyclopentylsulfanyl-1-piperazin-1-ylethanone
SMILESO=C(CSC1CCCC1)N1CCNCC1
InChIInChI=1S/C11H20N2OS/c14-11(13-7-5-12-6-8-13)9-15-10-3-1-2-4-10/h10,12H,1-9H2
InChIKeyCNHVHZYXBCJPPM-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.09
Rot. Bonds3

About 2-cyclopentylsulfanyl-1-piperazin-1-ylethanone

2-cyclopentylsulfanyl-1-piperazin-1-ylethanone (PubChem CID 63115302) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-piperazin-1-ylethanone
PubChem CID63115302
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-cyclopentylsulfanyl-1-piperazin-1-ylethanone
SMILESO=C(CSC1CCCC1)N1CCNCC1
InChIInChI=1S/C11H20N2OS/c14-11(13-7-5-12-6-8-13)9-15-10-3-1-2-4-10/h10,12H,1-9H2
InChIKeyCNHVHZYXBCJPPM-UHFFFAOYSA-N
XLogP1.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylsulfanyl)-N-[4-(dimethylamino)but-2-yn-1-yl]acetamide
CID 71792388
2-(2-Aminoethylsulfanyl)-2-fluoro-1-piperazin-1-ylethanone
CID 153586717
2-cyclopentylsulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide
CID 49676906
3-methylsulfanyl-N-(3-piperazin-1-ylpropyl)propanamide
CID 43443315
N-(2-thiomorpholin-4-ylethyl)acetamide
CID 58837118
CID 59866918
CID 59866918
3-methylsulfanyl-N-(2-piperidin-1-ylethyl)propanamide
CID 59938043
2-(3-Aminopropylamino)-1-thiomorpholin-4-ylethanone
CID 66548661
3-[2-Oxo-2-(2-piperazin-1-ylethylamino)ethyl]sulfanylpropanamide
CID 71046187
N-methyl-2-[2-methyl-1-(4-propylpiperazin-1-yl)propan-2-yl]sulfanylacetamide
CID 90137607
1-Ethylidyne-1-methyl-7-(2-piperidin-1-ylethyl)-1lambda6-thia-4,7-diazacycloundecan-3-one
CID 91557261
1-(2-Ethylsulfanylethyl)piperazin-2-one
CID 116101056

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-piperazin-1-ylethanone?
The IUPAC name of 2-cyclopentylsulfanyl-1-piperazin-1-ylethanone (CID 63115302) is 2-cyclopentylsulfanyl-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-piperazin-1-ylethanone?
The canonical SMILES for 2-cyclopentylsulfanyl-1-piperazin-1-ylethanone is O=C(CSC1CCCC1)N1CCNCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-piperazin-1-ylethanone?
The InChIKey is CNHVHZYXBCJPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c14-11(13-7-5-12-6-8-13)9-15-10-3-1-2-4-10/h10,12H,1-9H2.
What are the key properties of 2-cyclopentylsulfanyl-1-piperazin-1-ylethanone?
2-cyclopentylsulfanyl-1-piperazin-1-ylethanone has a molecular weight of 228.36 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-piperazin-1-ylethanone is sourced from PubChem (CID 63115302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).