2-[(1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole

C13H21N3O2S2 — CID 97372628

IUPAC2-[(1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCCC12CCN(Cc1nccs1)CC2
InChIInChI=1S/C13H21N3O2S2/c1-20(17,18)16-7-2-3-13(16)4-8-15(9-5-13)11-12-14-6-10-19-12/h6,10H,2-5,7-9,11H2,1H3
InChIKeyOWHKMEZSAZVZAN-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.53
Rot. Bonds3

About 2-[(1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole

2-[(1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole (PubChem CID 97372628) has the molecular formula C13H21N3O2S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-[(1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole
PubChem CID97372628
Molecular FormulaC13H21N3O2S2
Molecular Weight315.46 g/mol
Exact Mass315.11
IUPAC Name2-[(1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCCC12CCN(Cc1nccs1)CC2
InChIInChI=1S/C13H21N3O2S2/c1-20(17,18)16-7-2-3-13(16)4-8-15(9-5-13)11-12-14-6-10-19-12/h6,10H,2-5,7-9,11H2,1H3
InChIKeyOWHKMEZSAZVZAN-UHFFFAOYSA-N
XLogP1.53
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(7-Methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-1,3-thiazole
CID 3232888
2-((9-(Methylsulfonyl)-3,9-diazaspiro[5.5]undecan-3-yl)methyl)thiazole
CID 3233035
2-[[(5S)-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
CID 3233242
2-[(3-Ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole
CID 97370619
2-[[1-(Cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97372578
2-[[(4aR,7aR)-6-methylsulfonyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]methyl]-1,3-thiazole
CID 97377274
2-(1-Methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-1,3-thiazole
CID 118739057
2-[(1-Methylsulfonyl-1,7-diazaspiro[4.4]nonan-7-yl)methyl]-1,3-thiazole
CID 118742895
2-[(1-Methylsulfonyl-1,8-diazaspiro[5.5]undecan-8-yl)methyl]-1,3-thiazole
CID 118742898
N,N-Dimethyl-3-[2-(1,3-thiazol-2-YL)piperidin-1-YL]propane-1-sulfonamide
CID 91838272
2-[(1-Methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 118742885
(1R*,5R*)-N,N-dimethyl-6-(1,3-thiazol-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
CID 133121090

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole (CID 97372628) is 2-[(1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole is CS(=O)(=O)N1CCCC12CCN(Cc1nccs1)CC2.
What is the InChIKey of 2-[(1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole?
The InChIKey is OWHKMEZSAZVZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S2/c1-20(17,18)16-7-2-3-13(16)4-8-15(9-5-13)11-12-14-6-10-19-12/h6,10H,2-5,7-9,11H2,1H3.
What are the key properties of 2-[(1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole?
2-[(1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole has a molecular weight of 315.46 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 97372628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).