N-(3-aminopropyl)-1,1-difluoro-N-propylmethanesulfonamide

C7H16F2N2O2S — CID 43136941

IUPACN-(3-aminopropyl)-1,1-difluoro-N-propylmethanesulfonamide
SMILESCCCN(CCCN)S(=O)(=O)C(F)F
InChIInChI=1S/C7H16F2N2O2S/c1-2-5-11(6-3-4-10)14(12,13)7(8)9/h7H,2-6,10H2,1H3
InChIKeyPMYNVBIYOCLENA-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.60
Rot. Bonds7

About N-(3-aminopropyl)-1,1-difluoro-N-propylmethanesulfonamide

N-(3-aminopropyl)-1,1-difluoro-N-propylmethanesulfonamide (PubChem CID 43136941) has the molecular formula C7H16F2N2O2S and a molecular weight of 230.28 g/mol. Its IUPAC name is N-(3-aminopropyl)-1,1-difluoro-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1,1-difluoro-N-propylmethanesulfonamide
PubChem CID43136941
Molecular FormulaC7H16F2N2O2S
Molecular Weight230.28 g/mol
Exact Mass230.09
IUPAC NameN-(3-aminopropyl)-1,1-difluoro-N-propylmethanesulfonamide
SMILESCCCN(CCCN)S(=O)(=O)C(F)F
InChIInChI=1S/C7H16F2N2O2S/c1-2-5-11(6-3-4-10)14(12,13)7(8)9/h7H,2-6,10H2,1H3
InChIKeyPMYNVBIYOCLENA-UHFFFAOYSA-N
XLogP0.60
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-aminopropyl)-1,1-difluoro-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 N-(3-aminopropyl)-1,1-difluoro-N-propylmethanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-1,1-difluoro-N-propylmethanesulfonamide (CID 43136941) is N-(3-aminopropyl)-1,1-difluoro-N-propylmethanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-1,1-difluoro-N-propylmethanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-1,1-difluoro-N-propylmethanesulfonamide is CCCN(CCCN)S(=O)(=O)C(F)F.
What is the InChIKey of N-(3-aminopropyl)-1,1-difluoro-N-propylmethanesulfonamide?
The InChIKey is PMYNVBIYOCLENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N2O2S/c1-2-5-11(6-3-4-10)14(12,13)7(8)9/h7H,2-6,10H2,1H3.
What are the key properties of N-(3-aminopropyl)-1,1-difluoro-N-propylmethanesulfonamide?
N-(3-aminopropyl)-1,1-difluoro-N-propylmethanesulfonamide has a molecular weight of 230.28 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1,1-difluoro-N-propylmethanesulfonamide is sourced from PubChem (CID 43136941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).