9-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane

C17H26N2O2S — CID 126433881

IUPAC9-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESc1cc([C@@H]2CCCO2)sc1CN1CCC2(CC1)CNCCO2
InChIInChI=1S/C17H26N2O2S/c1-2-15(20-10-1)16-4-3-14(22-16)12-19-8-5-17(6-9-19)13-18-7-11-21-17/h3-4,15,18H,1-2,5-13H2/t15-/m0/s1
InChIKeyWWHFMFBLAFKHEL-HNNXBMFYSA-N
MW322.47 g/mol
LogP2.55
Rot. Bonds3

About 9-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane

9-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 126433881) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 9-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID126433881
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name9-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESc1cc([C@@H]2CCCO2)sc1CN1CCC2(CC1)CNCCO2
InChIInChI=1S/C17H26N2O2S/c1-2-15(20-10-1)16-4-3-14(22-16)12-19-8-5-17(6-9-19)13-18-7-11-21-17/h3-4,15,18H,1-2,5-13H2/t15-/m0/s1
InChIKeyWWHFMFBLAFKHEL-HNNXBMFYSA-N
XLogP2.55
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane with MolForge

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Related Compounds

1,4-dimethyl-9-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,9-triazaspiro[5.5]undecane
CID 56749490
1-[(4-chlorophenyl)methyl]-4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine
CID 95877254
5-methyl-1'-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72854874
1-ethylsulfonyl-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine
CID 131907476
1-[(1-methylimidazol-2-yl)methyl]-4-[[5-[(2R)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine
CID 99951233
1-(2-fluorophenyl)-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine
CID 77084296
5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;dihydrochloride
CID 154904060
1-(3-methyl-2-pyridinyl)-4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine
CID 95726464
2,5-dimethyl-3-[4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazin-1-yl]pyrazine
CID 95143429
6-[4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 74246038
3-[1-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 99956248
[1-methyl-5-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
CID 98324186

Frequently Asked Questions

What is the IUPAC name of 9-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane (CID 126433881) is 9-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane is c1cc([C@@H]2CCCO2)sc1CN1CCC2(CC1)CNCCO2.
What is the InChIKey of 9-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is WWHFMFBLAFKHEL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-2-15(20-10-1)16-4-3-14(22-16)12-19-8-5-17(6-9-19)13-18-7-11-21-17/h3-4,15,18H,1-2,5-13H2/t15-/m0/s1.
What are the key properties of 9-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
9-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 322.47 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 126433881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).