1,1-difluoro-N-piperidin-4-yl-N-propylmethanesulfonamide

C9H18F2N2O2S — CID 60807287

IUPAC1,1-difluoro-N-piperidin-4-yl-N-propylmethanesulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C9H18F2N2O2S/c1-2-7-13(16(14,15)9(10)11)8-3-5-12-6-4-8/h8-9,12H,2-7H2,1H3
InChIKeyKMOIIJOPMICDBS-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.00
Rot. Bonds5

About 1,1-difluoro-N-piperidin-4-yl-N-propylmethanesulfonamide

1,1-difluoro-N-piperidin-4-yl-N-propylmethanesulfonamide (PubChem CID 60807287) has the molecular formula C9H18F2N2O2S and a molecular weight of 256.32 g/mol. Its IUPAC name is 1,1-difluoro-N-piperidin-4-yl-N-propylmethanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-piperidin-4-yl-N-propylmethanesulfonamide
PubChem CID60807287
Molecular FormulaC9H18F2N2O2S
Molecular Weight256.32 g/mol
Exact Mass256.11
IUPAC Name1,1-difluoro-N-piperidin-4-yl-N-propylmethanesulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C9H18F2N2O2S/c1-2-7-13(16(14,15)9(10)11)8-3-5-12-6-4-8/h8-9,12H,2-7H2,1H3
InChIKeyKMOIIJOPMICDBS-UHFFFAOYSA-N
XLogP1.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1-difluoro-N-piperidin-4-yl-N-propylmethanesulfonamide 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 1,1-difluoro-N-piperidin-4-yl-N-propylmethanesulfonamide?
The IUPAC name of 1,1-difluoro-N-piperidin-4-yl-N-propylmethanesulfonamide (CID 60807287) is 1,1-difluoro-N-piperidin-4-yl-N-propylmethanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-piperidin-4-yl-N-propylmethanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-piperidin-4-yl-N-propylmethanesulfonamide is CCCN(C1CCNCC1)S(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-piperidin-4-yl-N-propylmethanesulfonamide?
The InChIKey is KMOIIJOPMICDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2S/c1-2-7-13(16(14,15)9(10)11)8-3-5-12-6-4-8/h8-9,12H,2-7H2,1H3.
What are the key properties of 1,1-difluoro-N-piperidin-4-yl-N-propylmethanesulfonamide?
1,1-difluoro-N-piperidin-4-yl-N-propylmethanesulfonamide has a molecular weight of 256.32 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-piperidin-4-yl-N-propylmethanesulfonamide is sourced from PubChem (CID 60807287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).