1-piperidin-1-yl-2-(thian-4-yl)ethanone

C12H21NOS — CID 71917750

IUPAC1-piperidin-1-yl-2-(thian-4-yl)ethanone
SMILESO=C(CC1CCSCC1)N1CCCCC1
InChIInChI=1S/C12H21NOS/c14-12(13-6-2-1-3-7-13)10-11-4-8-15-9-5-11/h11H,1-10H2
InChIKeyYNUMCZDKUOTDDV-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.53
Rot. Bonds2

About 1-piperidin-1-yl-2-(thian-4-yl)ethanone

1-piperidin-1-yl-2-(thian-4-yl)ethanone (PubChem CID 71917750) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(thian-4-yl)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(thian-4-yl)ethanone
PubChem CID71917750
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name1-piperidin-1-yl-2-(thian-4-yl)ethanone
SMILESO=C(CC1CCSCC1)N1CCCCC1
InChIInChI=1S/C12H21NOS/c14-12(13-6-2-1-3-7-13)10-11-4-8-15-9-5-11/h11H,1-10H2
InChIKeyYNUMCZDKUOTDDV-UHFFFAOYSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(thian-4-yl)acetyl]piperazine-1-carbaldehyde
CID 110850174
2-(4-aminocyclohexyl)-1-piperidin-1-ylethanone;hydrochloride
CID 165412274
4-methyl-1-[2-(thian-4-yl)acetyl]piperidine-4-carboxylic acid
CID 83145290
1-[3-(methylaminomethyl)piperidin-1-yl]-2-(thian-4-yl)ethanone
CID 83135935
1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone
CID 46295186
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
CID 134029886
1-pyrrolidin-1-yl-2-(thiolan-3-ylmethylamino)ethanone
CID 107132382
2-cyclopropyl-1-(1,2,5-dithiazepan-5-yl)ethanone
CID 130723803
2-(1,1-dioxothian-4-yl)-1-pyrrolidin-1-ylethanone
CID 110848611
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
1-(3-methylpiperazin-1-yl)-2-(thian-4-yl)ethanone
CID 83145896
1-[3-(2-bromoethyl)pyrrolidin-1-yl]-2-(thian-4-yl)ethanone
CID 114801753

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(thian-4-yl)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(thian-4-yl)ethanone (CID 71917750) is 1-piperidin-1-yl-2-(thian-4-yl)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(thian-4-yl)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(thian-4-yl)ethanone is O=C(CC1CCSCC1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(thian-4-yl)ethanone?
The InChIKey is YNUMCZDKUOTDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c14-12(13-6-2-1-3-7-13)10-11-4-8-15-9-5-11/h11H,1-10H2.
What are the key properties of 1-piperidin-1-yl-2-(thian-4-yl)ethanone?
1-piperidin-1-yl-2-(thian-4-yl)ethanone has a molecular weight of 227.37 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(thian-4-yl)ethanone is sourced from PubChem (CID 71917750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).