1-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone

C15H22N2O2S — CID 97491859

IUPAC1-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone
SMILESCN1CCOCC12CCN(C(=O)Cc1ccsc1)CC2
InChIInChI=1S/C15H22N2O2S/c1-16-7-8-19-12-15(16)3-5-17(6-4-15)14(18)10-13-2-9-20-11-13/h2,9,11H,3-8,10,12H2,1H3
InChIKeyPOKLYIWMBWUYPU-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.61
Rot. Bonds2

About 1-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone

1-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone (PubChem CID 97491859) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone
PubChem CID97491859
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone
SMILESCN1CCOCC12CCN(C(=O)Cc1ccsc1)CC2
InChIInChI=1S/C15H22N2O2S/c1-16-7-8-19-12-15(16)3-5-17(6-4-15)14(18)10-13-2-9-20-11-13/h2,9,11H,3-8,10,12H2,1H3
InChIKeyPOKLYIWMBWUYPU-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone with MolForge

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Related Compounds

1-[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-thiophen-3-ylethanone
CID 99841411
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
methyl (2S)-6-(2-thiophen-3-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylate
CID 129470889
methyl 6-(2-thiophen-3-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylate
CID 121021108
(5S)-4,5-dimethyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471553
1-[11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]-2-thiophen-3-ylethanone
CID 97399423
1-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone
CID 97396890
1-ethyl-9-(2-thiophen-3-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495806
1-[(6S)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone
CID 97494464
1-[(3S)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone
CID 97487838
4-(2-thiophen-3-ylacetyl)piperazine-1-sulfonamide
CID 61129944
1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 81427853

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone (CID 97491859) is 1-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone is CN1CCOCC12CCN(C(=O)Cc1ccsc1)CC2.
What is the InChIKey of 1-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone?
The InChIKey is POKLYIWMBWUYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-16-7-8-19-12-15(16)3-5-17(6-4-15)14(18)10-13-2-9-20-11-13/h2,9,11H,3-8,10,12H2,1H3.
What are the key properties of 1-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone?
1-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone has a molecular weight of 294.42 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 97491859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).