1-[(6R)-4-(thiophen-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone

C15H22N2O2S — CID 97372386

IUPAC1-[(6R)-4-(thiophen-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
SMILESCC(=O)N1CCC[C@@]2(CN(Cc3ccsc3)CCO2)C1
InChIInChI=1S/C15H22N2O2S/c1-13(18)17-5-2-4-15(12-17)11-16(6-7-19-15)9-14-3-8-20-10-14/h3,8,10H,2,4-7,9,11-12H2,1H3/t15-/m1/s1
InChIKeySVWIMXWJGPOUEA-OAHLLOKOSA-N
MW294.42 g/mol
LogP1.96
Rot. Bonds2

About 1-[(6R)-4-(thiophen-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone

1-[(6R)-4-(thiophen-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone (PubChem CID 97372386) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-[(6R)-4-(thiophen-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone.

Molecular Properties

Compound Name1-[(6R)-4-(thiophen-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
PubChem CID97372386
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-[(6R)-4-(thiophen-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
SMILESCC(=O)N1CCC[C@@]2(CN(Cc3ccsc3)CCO2)C1
InChIInChI=1S/C15H22N2O2S/c1-13(18)17-5-2-4-15(12-17)11-16(6-7-19-15)9-14-3-8-20-10-14/h3,8,10H,2,4-7,9,11-12H2,1H3/t15-/m1/s1
InChIKeySVWIMXWJGPOUEA-OAHLLOKOSA-N
XLogP1.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(6R)-4-(thiophen-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone with MolForge

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Related Compounds

(4aR*,8aR*)-2-(methoxyacetyl)-7-(3-thienylmethyl)octahydro-2,7-naphthyridin-4a(2H)-ol
CID 72898095
9-(Thiophen-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97384655
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CID 97396263
4,5-Dimethyl-9-(thiophen-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118742501
4-[1-(Thiophen-3-ylmethyl)piperidin-4-yl]morpholin-3-one
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CID 95347428
(3S)-3-methoxy-3-methyl-1-(thiophen-3-ylmethyl)piperidine
CID 164638053
3-[2-(4,4-Difluoro-1-piperidinyl)-2-oxoethyl]-4-(3-thienylmethyl)morpholine
CID 56896100
1-(4,4-difluoropiperidin-1-yl)-2-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone
CID 95870787
1-(4,4-difluoropiperidin-1-yl)-2-[(3R)-4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone
CID 95870788
4-{3-Fluoro-1-[(thiophen-3-YL)methyl]piperidine-3-carbonyl}morpholine
CID 132448401
1-[4-(Thiophen-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155829201

Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-4-(thiophen-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone?
The IUPAC name of 1-[(6R)-4-(thiophen-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone (CID 97372386) is 1-[(6R)-4-(thiophen-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone.
What is the SMILES notation for 1-[(6R)-4-(thiophen-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone?
The canonical SMILES for 1-[(6R)-4-(thiophen-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone is CC(=O)N1CCC[C@@]2(CN(Cc3ccsc3)CCO2)C1.
What is the InChIKey of 1-[(6R)-4-(thiophen-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone?
The InChIKey is SVWIMXWJGPOUEA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-13(18)17-5-2-4-15(12-17)11-16(6-7-19-15)9-14-3-8-20-10-14/h3,8,10H,2,4-7,9,11-12H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(6R)-4-(thiophen-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone?
1-[(6R)-4-(thiophen-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone has a molecular weight of 294.42 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-4-(thiophen-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone is sourced from PubChem (CID 97372386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).