6-methylsulfonyl-1-piperidin-4-ylhexan-3-one

C12H23NO3S — CID 116563332

IUPAC6-methylsulfonyl-1-piperidin-4-ylhexan-3-one
SMILESCS(=O)(=O)CCCC(=O)CCC1CCNCC1
InChIInChI=1S/C12H23NO3S/c1-17(15,16)10-2-3-12(14)5-4-11-6-8-13-9-7-11/h11,13H,2-10H2,1H3
InChIKeyQSBJURZENGXWBB-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.16
Rot. Bonds7

About 6-methylsulfonyl-1-piperidin-4-ylhexan-3-one

6-methylsulfonyl-1-piperidin-4-ylhexan-3-one (PubChem CID 116563332) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 6-methylsulfonyl-1-piperidin-4-ylhexan-3-one.

Molecular Properties

Compound Name6-methylsulfonyl-1-piperidin-4-ylhexan-3-one
PubChem CID116563332
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name6-methylsulfonyl-1-piperidin-4-ylhexan-3-one
SMILESCS(=O)(=O)CCCC(=O)CCC1CCNCC1
InChIInChI=1S/C12H23NO3S/c1-17(15,16)10-2-3-12(14)5-4-11-6-8-13-9-7-11/h11,13H,2-10H2,1H3
InChIKeyQSBJURZENGXWBB-UHFFFAOYSA-N
XLogP1.16
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-6-methylsulfonylhexan-3-one
CID 114965014
4-(2-methylsulfonylethyl)piperidine;4-(methylsulfonylmethyl)piperidine
CID 158767557
1-amino-4-piperidin-4-ylbutan-2-one
CID 56994536
1-ethylsulfonyl-3-piperidin-4-ylpropan-1-one
CID 117125827
5-ethylsulfonyl-1-pyrrolidin-3-ylpentan-2-one
CID 116583438
1-propan-2-ylsulfonyl-5-pyrrolidin-3-ylpentan-3-one
CID 106736845
1-piperidin-4-ylhept-5-yn-3-one
CID 116563317
1-pyrrolidin-3-ylhexan-3-one
CID 116605913
5-methyl-1-piperidin-4-ylheptan-3-one
CID 116563326
4-methylsulfonyl-1-piperidin-4-yloxybutan-2-one
CID 116571164
4-(2-cyclopropylsulfonylethyl)piperidine
CID 84683146
1-(azetidin-3-yl)-4-methylsulfonylbutan-1-one
CID 116583656

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-1-piperidin-4-ylhexan-3-one?
The IUPAC name of 6-methylsulfonyl-1-piperidin-4-ylhexan-3-one (CID 116563332) is 6-methylsulfonyl-1-piperidin-4-ylhexan-3-one.
What is the SMILES notation for 6-methylsulfonyl-1-piperidin-4-ylhexan-3-one?
The canonical SMILES for 6-methylsulfonyl-1-piperidin-4-ylhexan-3-one is CS(=O)(=O)CCCC(=O)CCC1CCNCC1.
What is the InChIKey of 6-methylsulfonyl-1-piperidin-4-ylhexan-3-one?
The InChIKey is QSBJURZENGXWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-17(15,16)10-2-3-12(14)5-4-11-6-8-13-9-7-11/h11,13H,2-10H2,1H3.
What are the key properties of 6-methylsulfonyl-1-piperidin-4-ylhexan-3-one?
6-methylsulfonyl-1-piperidin-4-ylhexan-3-one has a molecular weight of 261.39 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-1-piperidin-4-ylhexan-3-one is sourced from PubChem (CID 116563332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).