N-[1-[(2,2-difluorocyclohexyl)methyl]piperidin-4-yl]-N-methylethanesulfonamide

C15H28F2N2O2S — CID 131963268

IUPACN-[1-[(2,2-difluorocyclohexyl)methyl]piperidin-4-yl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCN(CC2CCCCC2(F)F)CC1
InChIInChI=1S/C15H28F2N2O2S/c1-3-22(20,21)18(2)14-7-10-19(11-8-14)12-13-6-4-5-9-15(13,16)17/h13-14H,3-12H2,1-2H3
InChIKeyJSQMWTDYAJDSAF-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.56
Rot. Bonds5

About N-[1-[(2,2-difluorocyclohexyl)methyl]piperidin-4-yl]-N-methylethanesulfonamide

N-[1-[(2,2-difluorocyclohexyl)methyl]piperidin-4-yl]-N-methylethanesulfonamide (PubChem CID 131963268) has the molecular formula C15H28F2N2O2S and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[1-[(2,2-difluorocyclohexyl)methyl]piperidin-4-yl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2,2-difluorocyclohexyl)methyl]piperidin-4-yl]-N-methylethanesulfonamide
PubChem CID131963268
Molecular FormulaC15H28F2N2O2S
Molecular Weight338.46 g/mol
Exact Mass338.18
IUPAC NameN-[1-[(2,2-difluorocyclohexyl)methyl]piperidin-4-yl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCN(CC2CCCCC2(F)F)CC1
InChIInChI=1S/C15H28F2N2O2S/c1-3-22(20,21)18(2)14-7-10-19(11-8-14)12-13-6-4-5-9-15(13,16)17/h13-14H,3-12H2,1-2H3
InChIKeyJSQMWTDYAJDSAF-UHFFFAOYSA-N
XLogP2.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,2-difluorocyclohexyl)methyl]piperidin-4-yl]-N-methylethanesulfonamide?
The IUPAC name of N-[1-[(2,2-difluorocyclohexyl)methyl]piperidin-4-yl]-N-methylethanesulfonamide (CID 131963268) is N-[1-[(2,2-difluorocyclohexyl)methyl]piperidin-4-yl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[1-[(2,2-difluorocyclohexyl)methyl]piperidin-4-yl]-N-methylethanesulfonamide?
The canonical SMILES for N-[1-[(2,2-difluorocyclohexyl)methyl]piperidin-4-yl]-N-methylethanesulfonamide is CCS(=O)(=O)N(C)C1CCN(CC2CCCCC2(F)F)CC1.
What is the InChIKey of N-[1-[(2,2-difluorocyclohexyl)methyl]piperidin-4-yl]-N-methylethanesulfonamide?
The InChIKey is JSQMWTDYAJDSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2N2O2S/c1-3-22(20,21)18(2)14-7-10-19(11-8-14)12-13-6-4-5-9-15(13,16)17/h13-14H,3-12H2,1-2H3.
What are the key properties of N-[1-[(2,2-difluorocyclohexyl)methyl]piperidin-4-yl]-N-methylethanesulfonamide?
N-[1-[(2,2-difluorocyclohexyl)methyl]piperidin-4-yl]-N-methylethanesulfonamide has a molecular weight of 338.46 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,2-difluorocyclohexyl)methyl]piperidin-4-yl]-N-methylethanesulfonamide is sourced from PubChem (CID 131963268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).