2-[[3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1,3-thiazole

C11H18N2O2S2 — CID 74231757

IUPAC2-[[3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCS(=O)(=O)CC1CCCN(Cc2nccs2)C1
InChIInChI=1S/C11H18N2O2S2/c1-17(14,15)9-10-3-2-5-13(7-10)8-11-12-4-6-16-11/h4,6,10H,2-3,5,7-9H2,1H3
InChIKeyQIBQXXRAWSFMSW-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.40
Rot. Bonds4

About 2-[[3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1,3-thiazole

2-[[3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 74231757) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[[3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID74231757
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name2-[[3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCS(=O)(=O)CC1CCCN(Cc2nccs2)C1
InChIInChI=1S/C11H18N2O2S2/c1-17(14,15)9-10-3-2-5-13(7-10)8-11-12-4-6-16-11/h4,6,10H,2-3,5,7-9H2,1H3
InChIKeyQIBQXXRAWSFMSW-UHFFFAOYSA-N
XLogP1.40
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.40
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-[(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-1,8-diazaspiro[5.5]undecan-8-yl)methyl]-1,3-thiazole
CID 118742898
N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
CID 75433714
N,N-Dimethyl-3-[2-(1,3-thiazol-2-YL)piperidin-1-YL]propane-1-sulfonamide
CID 91838272
(1R*,5R*)-N,N-dimethyl-6-(1,3-thiazol-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
CID 133121090
2-[1-(Trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole
CID 150765404

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1,3-thiazole (CID 74231757) is 2-[[3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1,3-thiazole is CS(=O)(=O)CC1CCCN(Cc2nccs2)C1.
What is the InChIKey of 2-[[3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is QIBQXXRAWSFMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-17(14,15)9-10-3-2-5-13(7-10)8-11-12-4-6-16-11/h4,6,10H,2-3,5,7-9H2,1H3.
What are the key properties of 2-[[3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
2-[[3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 274.41 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 74231757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).