1-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]ethanone

C10H19NO5S2 — CID 63845863

IUPAC1-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1S(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H19NO5S2/c1-9(12)10-5-3-4-6-11(10)18(15,16)8-7-17(2,13)14/h10H,3-8H2,1-2H3
InChIKeyRKANCBVUWKZOTF-UHFFFAOYSA-N
MW297.40 g/mol
LogP-0.20
Rot. Bonds5

About 1-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]ethanone

1-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]ethanone (PubChem CID 63845863) has the molecular formula C10H19NO5S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]ethanone
PubChem CID63845863
Molecular FormulaC10H19NO5S2
Molecular Weight297.40 g/mol
Exact Mass297.07
IUPAC Name1-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1S(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H19NO5S2/c1-9(12)10-5-3-4-6-11(10)18(15,16)8-7-17(2,13)14/h10H,3-8H2,1-2H3
InChIKeyRKANCBVUWKZOTF-UHFFFAOYSA-N
XLogP-0.20
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate
CID 79830884
methyl 1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate
CID 79005471
2-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]acetic acid
CID 63245000
1-[1-(difluoromethylsulfonyl)piperidin-2-yl]ethanone
CID 63844311
2-isocyanato-1-(2-methylsulfonylethylsulfonyl)azepane
CID 64562893
(2R)-1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-2-carboxylic acid
CID 79034671
1-(3-methyl-3-methylsulfonylbutyl)sulfonylpiperidine-2-carboxylic acid
CID 122070160
azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 56798256
2-acetyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114815335
(2S)-1-(2-ethoxyethylsulfonyl)piperidine-2-carboxylic acid
CID 66263402
1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid
CID 54931954
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]ethanone?
The IUPAC name of 1-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]ethanone (CID 63845863) is 1-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]ethanone is CC(=O)C1CCCCN1S(=O)(=O)CCS(C)(=O)=O.
What is the InChIKey of 1-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]ethanone?
The InChIKey is RKANCBVUWKZOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S2/c1-9(12)10-5-3-4-6-11(10)18(15,16)8-7-17(2,13)14/h10H,3-8H2,1-2H3.
What are the key properties of 1-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]ethanone?
1-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]ethanone has a molecular weight of 297.40 g/mol, XLogP of -0.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]ethanone is sourced from PubChem (CID 63845863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).