1,1-difluoro-N-[2-(propylamino)ethyl]methanesulfonamide

C6H14F2N2O2S — CID 62663877

IUPAC1,1-difluoro-N-[2-(propylamino)ethyl]methanesulfonamide
SMILESCCCNCCNS(=O)(=O)C(F)F
InChIInChI=1S/C6H14F2N2O2S/c1-2-3-9-4-5-10-13(11,12)6(7)8/h6,9-10H,2-5H2,1H3
InChIKeyIYGKNXHSUKHJBS-UHFFFAOYSA-N
MW216.25 g/mol
LogP0.13
Rot. Bonds7

About 1,1-difluoro-N-[2-(propylamino)ethyl]methanesulfonamide

1,1-difluoro-N-[2-(propylamino)ethyl]methanesulfonamide (PubChem CID 62663877) has the molecular formula C6H14F2N2O2S and a molecular weight of 216.25 g/mol. Its IUPAC name is 1,1-difluoro-N-[2-(propylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[2-(propylamino)ethyl]methanesulfonamide
PubChem CID62663877
Molecular FormulaC6H14F2N2O2S
Molecular Weight216.25 g/mol
Exact Mass216.07
IUPAC Name1,1-difluoro-N-[2-(propylamino)ethyl]methanesulfonamide
SMILESCCCNCCNS(=O)(=O)C(F)F
InChIInChI=1S/C6H14F2N2O2S/c1-2-3-9-4-5-10-13(11,12)6(7)8/h6,9-10H,2-5H2,1H3
InChIKeyIYGKNXHSUKHJBS-UHFFFAOYSA-N
XLogP0.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,1-difluoro-N-[2-(propylamino)ethyl]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

lithium;N-propylpropan-1-amine;trifluoromethanesulfonate
CID 139039585
1-Difluoromethanesulfonylpiperazine
CID 28606469
1,1,1-trifluoro-N-[3-(methylamino)propyl]methanesulfonamide
CID 43606008
3,5-Dimethyl-1-(trifluoromethylsulfonyl)piperazine
CID 58861604
1,1,1-trifluoro-N-[2-(methylamino)ethyl]methanesulfonamide
CID 62657412
1,1-difluoro-N-[2-(methylamino)ethyl]methanesulfonamide
CID 62658738
1,1,1-trifluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide
CID 62665151
N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfinamide
CID 122696145
1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide
CID 123946453
1-Methylsulfonyl-2-(trifluoromethyl)piperazine
CID 130440436
2,3,5-Trifluoro-1-methylsulfonylpiperazine
CID 132132754
1-(Methylsulfonyl)-3-(trifluoromethyl)piperazine
CID 137519225

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[2-(propylamino)ethyl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[2-(propylamino)ethyl]methanesulfonamide (CID 62663877) is 1,1-difluoro-N-[2-(propylamino)ethyl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[2-(propylamino)ethyl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[2-(propylamino)ethyl]methanesulfonamide is CCCNCCNS(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[2-(propylamino)ethyl]methanesulfonamide?
The InChIKey is IYGKNXHSUKHJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F2N2O2S/c1-2-3-9-4-5-10-13(11,12)6(7)8/h6,9-10H,2-5H2,1H3.
What are the key properties of 1,1-difluoro-N-[2-(propylamino)ethyl]methanesulfonamide?
1,1-difluoro-N-[2-(propylamino)ethyl]methanesulfonamide has a molecular weight of 216.25 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[2-(propylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 62663877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).