2-cyclopentylsulfanyl-1-piperidin-1-ylethanone

C12H21NOS — CID 47003991

IUPAC2-cyclopentylsulfanyl-1-piperidin-1-ylethanone
SMILESO=C(CSC1CCCC1)N1CCCCC1
InChIInChI=1S/C12H21NOS/c14-12(13-8-4-1-5-9-13)10-15-11-6-2-3-7-11/h11H,1-10H2
InChIKeyMEMODPKBKHPBKE-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.67
Rot. Bonds3

About 2-cyclopentylsulfanyl-1-piperidin-1-ylethanone

2-cyclopentylsulfanyl-1-piperidin-1-ylethanone (PubChem CID 47003991) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-piperidin-1-ylethanone
PubChem CID47003991
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-cyclopentylsulfanyl-1-piperidin-1-ylethanone
SMILESO=C(CSC1CCCC1)N1CCCCC1
InChIInChI=1S/C12H21NOS/c14-12(13-8-4-1-5-9-13)10-15-11-6-2-3-7-11/h11H,1-10H2
InChIKeyMEMODPKBKHPBKE-UHFFFAOYSA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azocan-1-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylethanone
CID 95572289
1-pyrrolidin-1-yl-2-pyrrolidin-3-ylsulfanylethanone
CID 71777928
2-(1,1-dioxothiolan-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 60667109
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone
CID 14367450
4-(2-cyclohexylsulfanylacetyl)piperazine-1-carbaldehyde;cyclopropylbenzene
CID 164556781
1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone
CID 43371059
2-(cyclohexylmethylamino)-1-piperidin-1-ylethanone
CID 43216149
1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-piperidin-4-ylsulfanylethanone
CID 114627527
1-[(3S)-3-tert-butylsulfonylpyrrolidin-1-yl]-2-cyclopentylsulfanylethanone
CID 97427285
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
1,3-bis(azepan-1-yl)propane-1,3-dione
CID 108952660
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-piperidin-4-ylsulfanylethanone
CID 114626671

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-cyclopentylsulfanyl-1-piperidin-1-ylethanone (CID 47003991) is 2-cyclopentylsulfanyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-cyclopentylsulfanyl-1-piperidin-1-ylethanone is O=C(CSC1CCCC1)N1CCCCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-piperidin-1-ylethanone?
The InChIKey is MEMODPKBKHPBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c14-12(13-8-4-1-5-9-13)10-15-11-6-2-3-7-11/h11H,1-10H2.
What are the key properties of 2-cyclopentylsulfanyl-1-piperidin-1-ylethanone?
2-cyclopentylsulfanyl-1-piperidin-1-ylethanone has a molecular weight of 227.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 47003991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).