1-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]ethanone

C9H17NO5S2 — CID 82842240

IUPAC1-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(S(=O)(=O)CS(C)(=O)=O)CC1
InChIInChI=1S/C9H17NO5S2/c1-8(11)9-3-5-10(6-4-9)17(14,15)7-16(2,12)13/h9H,3-7H2,1-2H3
InChIKeyRTTZXFPBNPPGOR-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.38
Rot. Bonds4

About 1-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]ethanone

1-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]ethanone (PubChem CID 82842240) has the molecular formula C9H17NO5S2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]ethanone
PubChem CID82842240
Molecular FormulaC9H17NO5S2
Molecular Weight283.37 g/mol
Exact Mass283.05
IUPAC Name1-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(S(=O)(=O)CS(C)(=O)=O)CC1
InChIInChI=1S/C9H17NO5S2/c1-8(11)9-3-5-10(6-4-9)17(14,15)7-16(2,12)13/h9H,3-7H2,1-2H3
InChIKeyRTTZXFPBNPPGOR-UHFFFAOYSA-N
XLogP-0.38
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-methylbutylsulfonyl)piperidin-4-yl]ethanone
CID 63846086
1-(1-ethylsulfonylpyrrolidin-3-yl)ethanone
CID 122244984
1-(methylsulfonylmethylsulfonyl)piperidine-4-carbaldehyde
CID 82842599
1-(methylsulfonylmethylsulfonyl)pyrrolidin-3-ol
CID 82843149
1-[1-(2-methylsulfonylethyl)piperidin-4-yl]ethanone
CID 63846320
2-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]oxyethanamine
CID 82842497
4-methyl-1-(methylsulfonylmethylsulfonyl)piperidin-4-ol
CID 82842950
1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 113003863
4-bromo-3-methyl-1-(methylsulfonylmethylsulfonyl)piperidine
CID 114683761
3-bromo-4-methyl-1-(methylsulfonylmethylsulfonyl)piperidine
CID 102962709
ethyl (3S)-1-(methylsulfonylmethylsulfonyl)piperidine-3-carboxylate
CID 82843374
ethyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 17022443

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]ethanone (CID 82842240) is 1-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]ethanone is CC(=O)C1CCN(S(=O)(=O)CS(C)(=O)=O)CC1.
What is the InChIKey of 1-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]ethanone?
The InChIKey is RTTZXFPBNPPGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S2/c1-8(11)9-3-5-10(6-4-9)17(14,15)7-16(2,12)13/h9H,3-7H2,1-2H3.
What are the key properties of 1-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]ethanone?
1-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]ethanone has a molecular weight of 283.37 g/mol, XLogP of -0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 82842240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).