2-[[(5S)-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole

C13H21N3O2S2 — CID 3233242

IUPAC2-[[(5S)-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C13H21N3O2S2/c1-20(17,18)16-6-2-3-13(11-16)4-7-15(10-13)9-12-14-5-8-19-12/h5,8H,2-4,6-7,9-11H2,1H3/t13-/m0/s1
InChIKeyLORMQMJHYKXKSS-ZDUSSCGKSA-N
MW315.46 g/mol
LogP1.39
Rot. Bonds3

About 2-[[(5S)-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole

2-[[(5S)-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole (PubChem CID 3233242) has the molecular formula C13H21N3O2S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-[[(5S)-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(5S)-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
PubChem CID3233242
Molecular FormulaC13H21N3O2S2
Molecular Weight315.46 g/mol
Exact Mass315.11
IUPAC Name2-[[(5S)-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C13H21N3O2S2/c1-20(17,18)16-6-2-3-13(11-16)4-7-15(10-13)9-12-14-5-8-19-12/h5,8H,2-4,6-7,9-11H2,1H3/t13-/m0/s1
InChIKeyLORMQMJHYKXKSS-ZDUSSCGKSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
CID 3234888
methyl (5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3233568
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
1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3233453
2-[(3-Ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole
CID 97370619
2-[(3-Cyclopropylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole
CID 97370620
2-[(1-Methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole
CID 97372628
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-1,7-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

Frequently Asked Questions

What is the IUPAC name of 2-[[(5S)-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[(5S)-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole (CID 3233242) is 2-[[(5S)-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[(5S)-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[(5S)-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole is CS(=O)(=O)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1.
What is the InChIKey of 2-[[(5S)-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole?
The InChIKey is LORMQMJHYKXKSS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H21N3O2S2/c1-20(17,18)16-6-2-3-13(11-16)4-7-15(10-13)9-12-14-5-8-19-12/h5,8H,2-4,6-7,9-11H2,1H3/t13-/m0/s1.
What are the key properties of 2-[[(5S)-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole?
2-[[(5S)-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole has a molecular weight of 315.46 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5S)-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 3233242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).