2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone

C14H20N2OS — CID 102849694

IUPAC2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C14H20N2OS/c17-13(12-3-8-18-9-12)16-7-2-5-14(11-16)4-1-6-15-10-14/h3,8-9,15H,1-2,4-7,10-11H2
InChIKeyBEKFWVCHJKEFKY-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.35
Rot. Bonds1

About 2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone

2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone (PubChem CID 102849694) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone.

Molecular Properties

Compound Name2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone
PubChem CID102849694
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C14H20N2OS/c17-13(12-3-8-18-9-12)16-7-2-5-14(11-16)4-1-6-15-10-14/h3,8-9,15H,1-2,4-7,10-11H2
InChIKeyBEKFWVCHJKEFKY-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone 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

2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone
CID 102849786
2,8-diazaspiro[5.5]undecan-2-yl-(4-methylsulfanylphenyl)methanone
CID 102849889
2,8-diazaspiro[5.5]undecan-2-yl-(3-iodophenyl)methanone
CID 102849918
(3-bromophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849851
[4-(3-methylpiperidine-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 119944853
(3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone
CID 115874944
2,8-diazaspiro[5.5]undecan-2-yl-(3-fluorophenyl)methanone;hydrochloride
CID 155841850
(4-bromo-3-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849604
2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone
CID 102849563
2,8-diazaspiro[5.5]undecan-2-yl-[4-(2,3-dihydropyrrol-1-yl)phenyl]methanone
CID 141337050
2,8-diazaspiro[5.5]undecan-2-yl-(3-methoxythiophen-2-yl)methanone
CID 82038139
[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone
CID 97450078

Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone?
The IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone (CID 102849694) is 2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone.
What is the SMILES notation for 2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone?
The canonical SMILES for 2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone is O=C(c1ccsc1)N1CCCC2(CCCNC2)C1.
What is the InChIKey of 2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone?
The InChIKey is BEKFWVCHJKEFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c17-13(12-3-8-18-9-12)16-7-2-5-14(11-16)4-1-6-15-10-14/h3,8-9,15H,1-2,4-7,10-11H2.
What are the key properties of 2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone?
2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone has a molecular weight of 264.39 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone is sourced from PubChem (CID 102849694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).