N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)methanesulfonamide

C9H18F2N2O2S — CID 139302396

IUPACN-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)methanesulfonamide
SMILESCC(C)N1CCC(NS(C)(=O)=O)C(F)(F)C1
InChIInChI=1S/C9H18F2N2O2S/c1-7(2)13-5-4-8(9(10,11)6-13)12-16(3,14)15/h7-8,12H,4-6H2,1-3H3
InChIKeyDEESJBSAXTZJQQ-UHFFFAOYSA-N
MW256.32 g/mol
LogP0.65
Rot. Bonds3

About N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)methanesulfonamide

N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)methanesulfonamide (PubChem CID 139302396) has the molecular formula C9H18F2N2O2S and a molecular weight of 256.32 g/mol. Its IUPAC name is N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)methanesulfonamide
PubChem CID139302396
Molecular FormulaC9H18F2N2O2S
Molecular Weight256.32 g/mol
Exact Mass256.11
IUPAC NameN-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)methanesulfonamide
SMILESCC(C)N1CCC(NS(C)(=O)=O)C(F)(F)C1
InChIInChI=1S/C9H18F2N2O2S/c1-7(2)13-5-4-8(9(10,11)6-13)12-16(3,14)15/h7-8,12H,4-6H2,1-3H3
InChIKeyDEESJBSAXTZJQQ-UHFFFAOYSA-N
XLogP0.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)methanesulfonamide 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 N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)methanesulfonamide?
The IUPAC name of N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)methanesulfonamide (CID 139302396) is N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)methanesulfonamide.
What is the SMILES notation for N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)methanesulfonamide?
The canonical SMILES for N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)methanesulfonamide is CC(C)N1CCC(NS(C)(=O)=O)C(F)(F)C1.
What is the InChIKey of N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)methanesulfonamide?
The InChIKey is DEESJBSAXTZJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2S/c1-7(2)13-5-4-8(9(10,11)6-13)12-16(3,14)15/h7-8,12H,4-6H2,1-3H3.
What are the key properties of N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)methanesulfonamide?
N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)methanesulfonamide has a molecular weight of 256.32 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)methanesulfonamide is sourced from PubChem (CID 139302396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).