(6S)-3-(2-thiophen-2-ylacetyl)spiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-2'-one

C16H20N2O3S — CID 131673270

IUPAC(6S)-3-(2-thiophen-2-ylacetyl)spiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-2'-one
SMILESO=C(Cc1cccs1)N1CC2C[C@@]3(CCCNC3=O)C(C1)O2
InChIInChI=1S/C16H20N2O3S/c19-14(7-12-3-1-6-22-12)18-9-11-8-16(13(10-18)21-11)4-2-5-17-15(16)20/h1,3,6,11,13H,2,4-5,7-10H2,(H,17,20)/t11?,13?,16-/m0/s1
InChIKeyQSLMDTGREHRILS-TZDAIYRESA-N
MW320.41 g/mol
LogP1.19
Rot. Bonds2

About (6S)-3-(2-thiophen-2-ylacetyl)spiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-2'-one

(6S)-3-(2-thiophen-2-ylacetyl)spiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-2'-one (PubChem CID 131673270) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is (6S)-3-(2-thiophen-2-ylacetyl)spiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-2'-one.

Molecular Properties

Compound Name(6S)-3-(2-thiophen-2-ylacetyl)spiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-2'-one
PubChem CID131673270
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name(6S)-3-(2-thiophen-2-ylacetyl)spiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-2'-one
SMILESO=C(Cc1cccs1)N1CC2C[C@@]3(CCCNC3=O)C(C1)O2
InChIInChI=1S/C16H20N2O3S/c19-14(7-12-3-1-6-22-12)18-9-11-8-16(13(10-18)21-11)4-2-5-17-15(16)20/h1,3,6,11,13H,2,4-5,7-10H2,(H,17,20)/t11?,13?,16-/m0/s1
InChIKeyQSLMDTGREHRILS-TZDAIYRESA-N
XLogP1.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S)-3-(2-thiophen-2-ylacetyl)spiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-2'-one with MolForge

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Related Compounds

4-(2-thiophen-2-ylacetyl)-1,4-diazepan-2-one
CID 62897971
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 120660237
1-[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-thiophen-2-ylethanone
CID 56866059
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 138380011
1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119411974
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone
CID 102934064
(4aS,7aS)-6-(2-thiophen-2-ylacetyl)-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-b][1,4]oxazin-3-one
CID 110139857
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone
CID 102937552
4-(3-thiophen-2-ylpropanoyl)-1,4-diazepan-2-one
CID 62897426
2-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]acetic acid
CID 62690570
3-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 121155018

Frequently Asked Questions

What is the IUPAC name of (6S)-3-(2-thiophen-2-ylacetyl)spiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-2'-one?
The IUPAC name of (6S)-3-(2-thiophen-2-ylacetyl)spiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-2'-one (CID 131673270) is (6S)-3-(2-thiophen-2-ylacetyl)spiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-2'-one.
What is the SMILES notation for (6S)-3-(2-thiophen-2-ylacetyl)spiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-2'-one?
The canonical SMILES for (6S)-3-(2-thiophen-2-ylacetyl)spiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-2'-one is O=C(Cc1cccs1)N1CC2C[C@@]3(CCCNC3=O)C(C1)O2.
What is the InChIKey of (6S)-3-(2-thiophen-2-ylacetyl)spiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-2'-one?
The InChIKey is QSLMDTGREHRILS-TZDAIYRESA-N. The full InChI is InChI=1S/C16H20N2O3S/c19-14(7-12-3-1-6-22-12)18-9-11-8-16(13(10-18)21-11)4-2-5-17-15(16)20/h1,3,6,11,13H,2,4-5,7-10H2,(H,17,20)/t11?,13?,16-/m0/s1.
What are the key properties of (6S)-3-(2-thiophen-2-ylacetyl)spiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-2'-one?
(6S)-3-(2-thiophen-2-ylacetyl)spiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-2'-one has a molecular weight of 320.41 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-(2-thiophen-2-ylacetyl)spiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-piperidine]-2'-one is sourced from PubChem (CID 131673270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).