2,8-diazaspiro[4.5]decan-2-yl-(5-methylsulfonylthiophen-3-yl)methanone

C14H20N2O3S2 — CID 154762720

IUPAC2,8-diazaspiro[4.5]decan-2-yl-(5-methylsulfonylthiophen-3-yl)methanone
SMILESCS(=O)(=O)c1cc(C(=O)N2CCC3(CCNCC3)C2)cs1
InChIInChI=1S/C14H20N2O3S2/c1-21(18,19)12-8-11(9-20-12)13(17)16-7-4-14(10-16)2-5-15-6-3-14/h8-9,15H,2-7,10H2,1H3
InChIKeyUDKVIKQTBZTMHF-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.37
Rot. Bonds2

About 2,8-diazaspiro[4.5]decan-2-yl-(5-methylsulfonylthiophen-3-yl)methanone

2,8-diazaspiro[4.5]decan-2-yl-(5-methylsulfonylthiophen-3-yl)methanone (PubChem CID 154762720) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2,8-diazaspiro[4.5]decan-2-yl-(5-methylsulfonylthiophen-3-yl)methanone.

Molecular Properties

Compound Name2,8-diazaspiro[4.5]decan-2-yl-(5-methylsulfonylthiophen-3-yl)methanone
PubChem CID154762720
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC Name2,8-diazaspiro[4.5]decan-2-yl-(5-methylsulfonylthiophen-3-yl)methanone
SMILESCS(=O)(=O)c1cc(C(=O)N2CCC3(CCNCC3)C2)cs1
InChIInChI=1S/C14H20N2O3S2/c1-21(18,19)12-8-11(9-20-12)13(17)16-7-4-14(10-16)2-5-15-6-3-14/h8-9,15H,2-7,10H2,1H3
InChIKeyUDKVIKQTBZTMHF-UHFFFAOYSA-N
XLogP1.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-(5-methylsulfonylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120688166
2,8-diazaspiro[4.5]decan-2-yl-(4-hydroxy-3-methylphenyl)methanone
CID 91764202
3-fluoro-1-(5-sulfamoylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119259509
2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone
CID 82038241
(3,3-dimethylpyrrolidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 79036702
[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-(5-methylsulfonylthiophen-2-yl)methanone
CID 3675780
2,8-diazaspiro[4.5]decan-2-yl-[3-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]methanone
CID 122561012
2,7-diazaspiro[3.5]nonan-2-yl(phenyl)methanone;hydrochloride
CID 141390941
2,7-diazaspiro[4.4]nonan-2-yl-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 82037964
N-[6-(2-methyl-1,3-thiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98896232
2-azaspiro[4.5]decan-2-yl(1,2,3,4-tetrahydroisoquinolin-6-yl)methanone
CID 167895320
(5-bromothiophen-3-yl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 103722220

Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[4.5]decan-2-yl-(5-methylsulfonylthiophen-3-yl)methanone?
The IUPAC name of 2,8-diazaspiro[4.5]decan-2-yl-(5-methylsulfonylthiophen-3-yl)methanone (CID 154762720) is 2,8-diazaspiro[4.5]decan-2-yl-(5-methylsulfonylthiophen-3-yl)methanone.
What is the SMILES notation for 2,8-diazaspiro[4.5]decan-2-yl-(5-methylsulfonylthiophen-3-yl)methanone?
The canonical SMILES for 2,8-diazaspiro[4.5]decan-2-yl-(5-methylsulfonylthiophen-3-yl)methanone is CS(=O)(=O)c1cc(C(=O)N2CCC3(CCNCC3)C2)cs1.
What is the InChIKey of 2,8-diazaspiro[4.5]decan-2-yl-(5-methylsulfonylthiophen-3-yl)methanone?
The InChIKey is UDKVIKQTBZTMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-21(18,19)12-8-11(9-20-12)13(17)16-7-4-14(10-16)2-5-15-6-3-14/h8-9,15H,2-7,10H2,1H3.
What are the key properties of 2,8-diazaspiro[4.5]decan-2-yl-(5-methylsulfonylthiophen-3-yl)methanone?
2,8-diazaspiro[4.5]decan-2-yl-(5-methylsulfonylthiophen-3-yl)methanone has a molecular weight of 328.46 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[4.5]decan-2-yl-(5-methylsulfonylthiophen-3-yl)methanone is sourced from PubChem (CID 154762720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).