3-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)ethyl]-1H-imidazol-2-one

C14H24N4OS — CID 91843373

IUPAC3-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)ethyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCN1CCC(N2CCSCC2)CC1
InChIInChI=1S/C14H24N4OS/c19-14-15-3-6-18(14)8-7-16-4-1-13(2-5-16)17-9-11-20-12-10-17/h3,6,13H,1-2,4-5,7-12H2,(H,15,19)
InChIKeyBXHSOKBAYRQOIU-UHFFFAOYSA-N
MW296.44 g/mol
LogP0.69
Rot. Bonds4

About 3-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)ethyl]-1H-imidazol-2-one

3-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)ethyl]-1H-imidazol-2-one (PubChem CID 91843373) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)ethyl]-1H-imidazol-2-one
PubChem CID91843373
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name3-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)ethyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCN1CCC(N2CCSCC2)CC1
InChIInChI=1S/C14H24N4OS/c19-14-15-3-6-18(14)8-7-16-4-1-13(2-5-16)17-9-11-20-12-10-17/h3,6,13H,1-2,4-5,7-12H2,(H,15,19)
InChIKeyBXHSOKBAYRQOIU-UHFFFAOYSA-N
XLogP0.69
TPSA44.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[4-(thian-4-yl)piperazin-1-yl]ethyl]-1H-imidazol-2-one
CID 91828418
3-[2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]-1H-imidazol-2-one
CID 135104344
3-[2-(cyclopropylamino)ethyl]-1H-imidazol-2-one
CID 103124813
3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1H-imidazol-2-one
CID 124750427
3-[(1-methylpiperidin-4-yl)methyl]-1H-imidazol-2-one
CID 103125432
3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethyl]-1H-imidazol-2-one
CID 91840649
4-thia-1-azabicyclo[5.2.0]nonane
CID 118209966
3-[2-[2-(4-fluorophenyl)morpholin-4-yl]ethyl]-1H-imidazol-2-one
CID 91843706
4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]thiomorpholine
CID 171326906
N-pyridin-3-yl-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide
CID 91839263
N-(2,4-dimethylphenyl)-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide
CID 91843408
3-[2-[(3S)-3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethyl]-1H-imidazol-2-one
CID 125176070

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)ethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)ethyl]-1H-imidazol-2-one (CID 91843373) is 3-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)ethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)ethyl]-1H-imidazol-2-one is O=c1[nH]ccn1CCN1CCC(N2CCSCC2)CC1.
What is the InChIKey of 3-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)ethyl]-1H-imidazol-2-one?
The InChIKey is BXHSOKBAYRQOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c19-14-15-3-6-18(14)8-7-16-4-1-13(2-5-16)17-9-11-20-12-10-17/h3,6,13H,1-2,4-5,7-12H2,(H,15,19).
What are the key properties of 3-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)ethyl]-1H-imidazol-2-one?
3-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)ethyl]-1H-imidazol-2-one has a molecular weight of 296.44 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 91843373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).