1,4-dimethyl-9-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,9-triazaspiro[5.5]undecane

C19H31N3OS — CID 56749490

IUPAC1,4-dimethyl-9-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,9-triazaspiro[5.5]undecane
SMILESCN1CCN(C)C2(CCN(Cc3ccc(C4CCCO4)s3)CC2)C1
InChIInChI=1S/C19H31N3OS/c1-20-11-12-21(2)19(15-20)7-9-22(10-8-19)14-16-5-6-18(24-16)17-4-3-13-23-17/h5-6,17H,3-4,7-15H2,1-2H3
InChIKeyFMGVUHHHIWOTJG-UHFFFAOYSA-N
MW349.54 g/mol
LogP2.81
Rot. Bonds3

About 1,4-dimethyl-9-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,9-triazaspiro[5.5]undecane

1,4-dimethyl-9-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,9-triazaspiro[5.5]undecane (PubChem CID 56749490) has the molecular formula C19H31N3OS and a molecular weight of 349.54 g/mol. Its IUPAC name is 1,4-dimethyl-9-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,9-triazaspiro[5.5]undecane.

Molecular Properties

Compound Name1,4-dimethyl-9-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,9-triazaspiro[5.5]undecane
PubChem CID56749490
Molecular FormulaC19H31N3OS
Molecular Weight349.54 g/mol
Exact Mass349.22
IUPAC Name1,4-dimethyl-9-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,9-triazaspiro[5.5]undecane
SMILESCN1CCN(C)C2(CCN(Cc3ccc(C4CCCO4)s3)CC2)C1
InChIInChI=1S/C19H31N3OS/c1-20-11-12-21(2)19(15-20)7-9-22(10-8-19)14-16-5-6-18(24-16)17-4-3-13-23-17/h5-6,17H,3-4,7-15H2,1-2H3
InChIKeyFMGVUHHHIWOTJG-UHFFFAOYSA-N
XLogP2.81
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

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
9-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 126433881
1-ethylsulfonyl-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine
CID 131907476
1-[(4-chlorophenyl)methyl]-4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine
CID 95877254
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
1-(3-methyl-2-pyridinyl)-4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine
CID 95726464
[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
2,5-dimethyl-3-[4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazin-1-yl]pyrazine
CID 95143429
3-[1-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 99956248
6-[4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 74246038
N-methyl-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 77083888

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-9-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,9-triazaspiro[5.5]undecane?
The IUPAC name of 1,4-dimethyl-9-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,9-triazaspiro[5.5]undecane (CID 56749490) is 1,4-dimethyl-9-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,9-triazaspiro[5.5]undecane.
What is the SMILES notation for 1,4-dimethyl-9-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,9-triazaspiro[5.5]undecane?
The canonical SMILES for 1,4-dimethyl-9-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,9-triazaspiro[5.5]undecane is CN1CCN(C)C2(CCN(Cc3ccc(C4CCCO4)s3)CC2)C1.
What is the InChIKey of 1,4-dimethyl-9-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,9-triazaspiro[5.5]undecane?
The InChIKey is FMGVUHHHIWOTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3OS/c1-20-11-12-21(2)19(15-20)7-9-22(10-8-19)14-16-5-6-18(24-16)17-4-3-13-23-17/h5-6,17H,3-4,7-15H2,1-2H3.
What are the key properties of 1,4-dimethyl-9-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,9-triazaspiro[5.5]undecane?
1,4-dimethyl-9-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,9-triazaspiro[5.5]undecane has a molecular weight of 349.54 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-9-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,9-triazaspiro[5.5]undecane is sourced from PubChem (CID 56749490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).