N-[2-(2,2-difluoroethylamino)ethyl]methanesulfonamide

C5H12F2N2O2S — CID 60921244

IUPACN-[2-(2,2-difluoroethylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCC(F)F
InChIInChI=1S/C5H12F2N2O2S/c1-12(10,11)9-3-2-8-4-5(6)7/h5,8-9H,2-4H2,1H3
InChIKeyWZSLHKTYTODJLM-UHFFFAOYSA-N
MW202.23 g/mol
LogP-0.61
Rot. Bonds6

About N-[2-(2,2-difluoroethylamino)ethyl]methanesulfonamide

N-[2-(2,2-difluoroethylamino)ethyl]methanesulfonamide (PubChem CID 60921244) has the molecular formula C5H12F2N2O2S and a molecular weight of 202.23 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethylamino)ethyl]methanesulfonamide
PubChem CID60921244
Molecular FormulaC5H12F2N2O2S
Molecular Weight202.23 g/mol
Exact Mass202.06
IUPAC NameN-[2-(2,2-difluoroethylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCC(F)F
InChIInChI=1S/C5H12F2N2O2S/c1-12(10,11)9-3-2-8-4-5(6)7/h5,8-9H,2-4H2,1H3
InChIKeyWZSLHKTYTODJLM-UHFFFAOYSA-N
XLogP-0.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Trifluoromethanesulfonylpiperazine hydrochloride
CID 22665842
N,N-Diethylammonium trifluoromethanesulfonate
CID 2783161
Piperazinium trifluoromethanesulfonate
CID 129746813
N-[2-(Methylamino)ethyl]methanesulfonamide
CID 541904
1-Difluoromethanesulfonylpiperazine hydrochloride
CID 154747321
1-((Trifluoromethyl)sulfonyl)piperazine
CID 18690833
1-Difluoromethanesulfonylpiperazine
CID 28606469
1-Methanidyl-4-(trifluoromethylsulfonyl)piperazin-1-ium
CID 57868221
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
4-(Trifluoromethylsulfonyl)piperazin-1-ium hydrochloride
CID 86667038

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethylamino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(2,2-difluoroethylamino)ethyl]methanesulfonamide (CID 60921244) is N-[2-(2,2-difluoroethylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2,2-difluoroethylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(2,2-difluoroethylamino)ethyl]methanesulfonamide is CS(=O)(=O)NCCNCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethylamino)ethyl]methanesulfonamide?
The InChIKey is WZSLHKTYTODJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F2N2O2S/c1-12(10,11)9-3-2-8-4-5(6)7/h5,8-9H,2-4H2,1H3.
What are the key properties of N-[2-(2,2-difluoroethylamino)ethyl]methanesulfonamide?
N-[2-(2,2-difluoroethylamino)ethyl]methanesulfonamide has a molecular weight of 202.23 g/mol, XLogP of -0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 60921244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).