2-methylsulfonyl-1-piperidin-1-ylethanone

C8H15NO3S — CID 60768426

IUPAC2-methylsulfonyl-1-piperidin-1-ylethanone
SMILESCS(=O)(=O)CC(=O)N1CCCCC1
InChIInChI=1S/C8H15NO3S/c1-13(11,12)7-8(10)9-5-3-2-4-6-9/h2-7H2,1H3
InChIKeyNQHYISVYEDHLMQ-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.04
Rot. Bonds2

About 2-methylsulfonyl-1-piperidin-1-ylethanone

2-methylsulfonyl-1-piperidin-1-ylethanone (PubChem CID 60768426) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-methylsulfonyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-methylsulfonyl-1-piperidin-1-ylethanone
PubChem CID60768426
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name2-methylsulfonyl-1-piperidin-1-ylethanone
SMILESCS(=O)(=O)CC(=O)N1CCCCC1
InChIInChI=1S/C8H15NO3S/c1-13(11,12)7-8(10)9-5-3-2-4-6-9/h2-7H2,1H3
InChIKeyNQHYISVYEDHLMQ-UHFFFAOYSA-N
XLogP0.04
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-methylsulfonyl-1-piperidin-1-ylethanone (CID 60768426) is 2-methylsulfonyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-methylsulfonyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-methylsulfonyl-1-piperidin-1-ylethanone is CS(=O)(=O)CC(=O)N1CCCCC1.
What is the InChIKey of 2-methylsulfonyl-1-piperidin-1-ylethanone?
The InChIKey is NQHYISVYEDHLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-13(11,12)7-8(10)9-5-3-2-4-6-9/h2-7H2,1H3.
What are the key properties of 2-methylsulfonyl-1-piperidin-1-ylethanone?
2-methylsulfonyl-1-piperidin-1-ylethanone has a molecular weight of 205.28 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 60768426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).