2,8-diazaspiro[5.5]undecan-2-yl-(4-methylsulfanylphenyl)methanone

C17H24N2OS — CID 102849889

IUPAC2,8-diazaspiro[5.5]undecan-2-yl-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)N2CCCC3(CCCNC3)C2)cc1
InChIInChI=1S/C17H24N2OS/c1-21-15-6-4-14(5-7-15)16(20)19-11-3-9-17(13-19)8-2-10-18-12-17/h4-7,18H,2-3,8-13H2,1H3
InChIKeyYMWYMXCVXZCTKN-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.01
Rot. Bonds2

About 2,8-diazaspiro[5.5]undecan-2-yl-(4-methylsulfanylphenyl)methanone

2,8-diazaspiro[5.5]undecan-2-yl-(4-methylsulfanylphenyl)methanone (PubChem CID 102849889) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2,8-diazaspiro[5.5]undecan-2-yl-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name2,8-diazaspiro[5.5]undecan-2-yl-(4-methylsulfanylphenyl)methanone
PubChem CID102849889
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2,8-diazaspiro[5.5]undecan-2-yl-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)N2CCCC3(CCCNC3)C2)cc1
InChIInChI=1S/C17H24N2OS/c1-21-15-6-4-14(5-7-15)16(20)19-11-3-9-17(13-19)8-2-10-18-12-17/h4-7,18H,2-3,8-13H2,1H3
InChIKeyYMWYMXCVXZCTKN-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone
CID 102849786
(4-bromo-3-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849604
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(thiophen-3-yl)methanone
CID 102849694
2,8-diazaspiro[5.5]undecan-2-yl-(3-fluorophenyl)methanone;hydrochloride
CID 155841850
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
1-[3-[4-(2,7-diazaspiro[4.5]decane-7-carbonyl)phenyl]-4-fluorophenyl]ethanone
CID 119063833
2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone
CID 102849563
(5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849841
2,9-diazaspiro[4.5]decan-2-yl-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanone
CID 141337202
2,8-diazaspiro[5.5]undecan-2-yl-(2-hydroxy-4-methylphenyl)methanone
CID 102849920

Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl-(4-methylsulfanylphenyl)methanone?
The IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl-(4-methylsulfanylphenyl)methanone (CID 102849889) is 2,8-diazaspiro[5.5]undecan-2-yl-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for 2,8-diazaspiro[5.5]undecan-2-yl-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for 2,8-diazaspiro[5.5]undecan-2-yl-(4-methylsulfanylphenyl)methanone is CSc1ccc(C(=O)N2CCCC3(CCCNC3)C2)cc1.
What is the InChIKey of 2,8-diazaspiro[5.5]undecan-2-yl-(4-methylsulfanylphenyl)methanone?
The InChIKey is YMWYMXCVXZCTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-21-15-6-4-14(5-7-15)16(20)19-11-3-9-17(13-19)8-2-10-18-12-17/h4-7,18H,2-3,8-13H2,1H3.
What are the key properties of 2,8-diazaspiro[5.5]undecan-2-yl-(4-methylsulfanylphenyl)methanone?
2,8-diazaspiro[5.5]undecan-2-yl-(4-methylsulfanylphenyl)methanone has a molecular weight of 304.46 g/mol, XLogP of 3.01, 2 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-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 102849889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).