2-[(2,5-dimethylthiophen-3-yl)methyl]-2,8-diazaspiro[5.5]undecane

C16H26N2S — CID 102849258

IUPAC2-[(2,5-dimethylthiophen-3-yl)methyl]-2,8-diazaspiro[5.5]undecane
SMILESCc1cc(CN2CCCC3(CCCNC3)C2)c(C)s1
InChIInChI=1S/C16H26N2S/c1-13-9-15(14(2)19-13)10-18-8-4-6-16(12-18)5-3-7-17-11-16/h9,17H,3-8,10-12H2,1-2H3
InChIKeyXRGQOTGSYQNKCD-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.33
Rot. Bonds2

About 2-[(2,5-dimethylthiophen-3-yl)methyl]-2,8-diazaspiro[5.5]undecane

2-[(2,5-dimethylthiophen-3-yl)methyl]-2,8-diazaspiro[5.5]undecane (PubChem CID 102849258) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 2-[(2,5-dimethylthiophen-3-yl)methyl]-2,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-[(2,5-dimethylthiophen-3-yl)methyl]-2,8-diazaspiro[5.5]undecane
PubChem CID102849258
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name2-[(2,5-dimethylthiophen-3-yl)methyl]-2,8-diazaspiro[5.5]undecane
SMILESCc1cc(CN2CCCC3(CCCNC3)C2)c(C)s1
InChIInChI=1S/C16H26N2S/c1-13-9-15(14(2)19-13)10-18-8-4-6-16(12-18)5-3-7-17-11-16/h9,17H,3-8,10-12H2,1-2H3
InChIKeyXRGQOTGSYQNKCD-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2,5-dimethylthiophen-3-yl)methyl]-2,8-diazaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,4,6-trimethylphenyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849325
2-[(2,5-dichlorophenyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 82038748
2-[(4-bromo-2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849338
2-[(4-bromo-2-chlorophenyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849413
2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-6-methoxyphenol
CID 102849331
2-[(5-nitrothiophen-3-yl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849496
5-(2,7-diazaspiro[4.5]decan-7-ylmethyl)-2,4-dimethyl-1,3-thiazole
CID 122558697
2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-benzothiazole
CID 102850087
7-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.5]decane
CID 56754640
5-[2-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-4-methyl-1,3-thiazole
CID 102850296
2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 56757251
(5S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 95227016

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylthiophen-3-yl)methyl]-2,8-diazaspiro[5.5]undecane?
The IUPAC name of 2-[(2,5-dimethylthiophen-3-yl)methyl]-2,8-diazaspiro[5.5]undecane (CID 102849258) is 2-[(2,5-dimethylthiophen-3-yl)methyl]-2,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-[(2,5-dimethylthiophen-3-yl)methyl]-2,8-diazaspiro[5.5]undecane?
The canonical SMILES for 2-[(2,5-dimethylthiophen-3-yl)methyl]-2,8-diazaspiro[5.5]undecane is Cc1cc(CN2CCCC3(CCCNC3)C2)c(C)s1.
What is the InChIKey of 2-[(2,5-dimethylthiophen-3-yl)methyl]-2,8-diazaspiro[5.5]undecane?
The InChIKey is XRGQOTGSYQNKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-13-9-15(14(2)19-13)10-18-8-4-6-16(12-18)5-3-7-17-11-16/h9,17H,3-8,10-12H2,1-2H3.
What are the key properties of 2-[(2,5-dimethylthiophen-3-yl)methyl]-2,8-diazaspiro[5.5]undecane?
2-[(2,5-dimethylthiophen-3-yl)methyl]-2,8-diazaspiro[5.5]undecane has a molecular weight of 278.46 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylthiophen-3-yl)methyl]-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 102849258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).