4-methylsulfonyl-1-piperidin-4-yloxybutan-2-one

C10H19NO4S — CID 116571164

IUPAC4-methylsulfonyl-1-piperidin-4-yloxybutan-2-one
SMILESCS(=O)(=O)CCC(=O)COC1CCNCC1
InChIInChI=1S/C10H19NO4S/c1-16(13,14)7-4-9(12)8-15-10-2-5-11-6-3-10/h10-11H,2-8H2,1H3
InChIKeySANIUWLEWLRYHP-UHFFFAOYSA-N
MW249.33 g/mol
LogP-0.24
Rot. Bonds6

About 4-methylsulfonyl-1-piperidin-4-yloxybutan-2-one

4-methylsulfonyl-1-piperidin-4-yloxybutan-2-one (PubChem CID 116571164) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 4-methylsulfonyl-1-piperidin-4-yloxybutan-2-one.

Molecular Properties

Compound Name4-methylsulfonyl-1-piperidin-4-yloxybutan-2-one
PubChem CID116571164
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name4-methylsulfonyl-1-piperidin-4-yloxybutan-2-one
SMILESCS(=O)(=O)CCC(=O)COC1CCNCC1
InChIInChI=1S/C10H19NO4S/c1-16(13,14)7-4-9(12)8-15-10-2-5-11-6-3-10/h10-11H,2-8H2,1H3
InChIKeySANIUWLEWLRYHP-UHFFFAOYSA-N
XLogP-0.24
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butylsulfonyl-5-piperidin-4-yloxypentan-3-one
CID 106736432
N,N-dimethyl-2-piperidin-4-yloxyacetamide
CID 43346284
2-methylsulfonyl-N-(2-piperidin-4-yloxyethyl)ethanesulfonamide
CID 55252432
N-methyl-3-methylsulfonyl-N-piperidin-4-ylpropanamide
CID 61003895
methyl 3-(2-piperidin-4-yloxyethylsulfamoyl)propanoate
CID 55250997
N-hydroxy-2-piperidin-4-yloxyacetamide
CID 63990799
N-methoxy-2-piperidin-4-yloxyacetamide
CID 64975041
6-methylsulfonyl-1-piperidin-4-ylhexan-3-one
CID 116563332
4-methylsulfonyl-1-piperidin-3-ylbutan-2-one
CID 116564301
propyl 2-piperidin-4-yloxyacetate
CID 63871576
N-(azepan-4-yl)-3-methylsulfonylpropanamide
CID 107172326
3-methylsulfonyl-N-piperidin-4-yl-N-propylpropanamide
CID 54895477

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-piperidin-4-yloxybutan-2-one?
The IUPAC name of 4-methylsulfonyl-1-piperidin-4-yloxybutan-2-one (CID 116571164) is 4-methylsulfonyl-1-piperidin-4-yloxybutan-2-one.
What is the SMILES notation for 4-methylsulfonyl-1-piperidin-4-yloxybutan-2-one?
The canonical SMILES for 4-methylsulfonyl-1-piperidin-4-yloxybutan-2-one is CS(=O)(=O)CCC(=O)COC1CCNCC1.
What is the InChIKey of 4-methylsulfonyl-1-piperidin-4-yloxybutan-2-one?
The InChIKey is SANIUWLEWLRYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-16(13,14)7-4-9(12)8-15-10-2-5-11-6-3-10/h10-11H,2-8H2,1H3.
What are the key properties of 4-methylsulfonyl-1-piperidin-4-yloxybutan-2-one?
4-methylsulfonyl-1-piperidin-4-yloxybutan-2-one has a molecular weight of 249.33 g/mol, XLogP of -0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-piperidin-4-yloxybutan-2-one is sourced from PubChem (CID 116571164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).