1-[(6S)-11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-2-ylethanone

C16H24N2O2S — CID 97494383

IUPAC1-[(6S)-11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-2-ylethanone
SMILESCN1CCOC[C@@]2(CCCN(C(=O)Cc3cccs3)C2)C1
InChIInChI=1S/C16H24N2O2S/c1-17-7-8-20-13-16(11-17)5-3-6-18(12-16)15(19)10-14-4-2-9-21-14/h2,4,9H,3,5-8,10-13H2,1H3/t16-/m0/s1
InChIKeyWERSMCXLZVDXSL-INIZCTEOSA-N
MW308.45 g/mol
LogP1.86
Rot. Bonds2

About 1-[(6S)-11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-2-ylethanone

1-[(6S)-11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-2-ylethanone (PubChem CID 97494383) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-[(6S)-11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[(6S)-11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-2-ylethanone
PubChem CID97494383
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-[(6S)-11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-2-ylethanone
SMILESCN1CCOC[C@@]2(CCCN(C(=O)Cc3cccs3)C2)C1
InChIInChI=1S/C16H24N2O2S/c1-17-7-8-20-13-16(11-17)5-3-6-18(12-16)15(19)10-14-4-2-9-21-14/h2,4,9H,3,5-8,10-13H2,1H3/t16-/m0/s1
InChIKeyWERSMCXLZVDXSL-INIZCTEOSA-N
XLogP1.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-pyridin-4-ylethanone
CID 118745338
1-[(5R)-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-(4-methylphenyl)ethanone
CID 97471970
N-methyl-2-[2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide
CID 131656424
pyrrolidin-1-yl-[2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 118743387
2-thiophen-2-yl-1-[4-(thiophen-2-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]ethanone
CID 131669522
2-methoxy-1-[(5S)-2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]ethanone
CID 97472208
1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylethanone
CID 71789583
1-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)-2-thiophen-2-ylethanone
CID 119037778
1-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]propan-1-one
CID 97398116
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-[(2R,5S)-2-[(dimethylamino)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]-2-thiophen-2-ylethanone
CID 97385846
1-(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-3-phenylpropan-1-one
CID 131644918

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[(6S)-11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-2-ylethanone (CID 97494383) is 1-[(6S)-11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[(6S)-11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[(6S)-11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-2-ylethanone is CN1CCOC[C@@]2(CCCN(C(=O)Cc3cccs3)C2)C1.
What is the InChIKey of 1-[(6S)-11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-2-ylethanone?
The InChIKey is WERSMCXLZVDXSL-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-17-7-8-20-13-16(11-17)5-3-6-18(12-16)15(19)10-14-4-2-9-21-14/h2,4,9H,3,5-8,10-13H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(6S)-11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-2-ylethanone?
1-[(6S)-11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-2-ylethanone has a molecular weight of 308.45 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 97494383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).