cyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone

C11H19NO3S — CID 110736017

IUPACcyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
SMILESCS(=O)(=O)CC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C11H19NO3S/c1-16(14,15)8-9-4-6-12(7-5-9)11(13)10-2-3-10/h9-10H,2-8H2,1H3
InChIKeyFITYPEKHTYYNFA-UHFFFAOYSA-N
MW245.34 g/mol
LogP0.68
Rot. Bonds3

About cyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone

cyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone (PubChem CID 110736017) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is cyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
PubChem CID110736017
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Namecyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
SMILESCS(=O)(=O)CC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C11H19NO3S/c1-16(14,15)8-9-4-6-12(7-5-9)11(13)10-2-3-10/h9-10H,2-8H2,1H3
InChIKeyFITYPEKHTYYNFA-UHFFFAOYSA-N
XLogP0.68
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone (CID 110736017) is cyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone is CS(=O)(=O)CC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone?
The InChIKey is FITYPEKHTYYNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-16(14,15)8-9-4-6-12(7-5-9)11(13)10-2-3-10/h9-10H,2-8H2,1H3.
What are the key properties of cyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone?
cyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone has a molecular weight of 245.34 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110736017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).