N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide

C9H18F2N2O2S — CID 139343643

IUPACN-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide
SMILESCCC1CNCC(CNS(C)(=O)=O)C1(F)F
InChIInChI=1S/C9H18F2N2O2S/c1-3-7-4-12-5-8(9(7,10)11)6-13-16(2,14)15/h7-8,12-13H,3-6H2,1-2H3
InChIKeyZUZRHZYKHUYJQK-UHFFFAOYSA-N
MW256.32 g/mol
LogP0.42
Rot. Bonds4

About N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide

N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide (PubChem CID 139343643) has the molecular formula C9H18F2N2O2S and a molecular weight of 256.32 g/mol. Its IUPAC name is N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide
PubChem CID139343643
Molecular FormulaC9H18F2N2O2S
Molecular Weight256.32 g/mol
Exact Mass256.11
IUPAC NameN-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide
SMILESCCC1CNCC(CNS(C)(=O)=O)C1(F)F
InChIInChI=1S/C9H18F2N2O2S/c1-3-7-4-12-5-8(9(7,10)11)6-13-16(2,14)15/h7-8,12-13H,3-6H2,1-2H3
InChIKeyZUZRHZYKHUYJQK-UHFFFAOYSA-N
XLogP0.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(piperidin-3-ylmethyl)methanesulfonamide
CID 4343050
1-Butyl-3-methylpiperidinium trifluoromethanesulfonate
CID 137321312
(1-Difluoromethanesulfonylpiperidin-4-yl)methanamine hydrochloride
CID 54592998
N-(2,2-Difluoroethyl)-1-methanesulfonylpiperidin-4-amine
CID 60921764
2-[1-(Trifluoromethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17762144
2-[1-(Trifluoromethylsulfonyl)piperidin-4-yl]ethanamine
CID 17762145
N-[[4-(aminomethyl)piperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide
CID 18614340
N-[(4-cyclopropylpiperidin-4-yl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 21037036
(1-((Difluoromethyl)sulfonyl)piperidin-4-yl)methanamine
CID 43605257
N-[(3-fluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 59268340
1,1,1-trifluoro-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 61791527
1,1,1-trifluoro-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 61793869

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide (CID 139343643) is N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide is CCC1CNCC(CNS(C)(=O)=O)C1(F)F.
What is the InChIKey of N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide?
The InChIKey is ZUZRHZYKHUYJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2S/c1-3-7-4-12-5-8(9(7,10)11)6-13-16(2,14)15/h7-8,12-13H,3-6H2,1-2H3.
What are the key properties of N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide?
N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide has a molecular weight of 256.32 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 139343643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).