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

C4H10F2N2O2S — CID 62658738

IUPAC1,1-difluoro-N-[2-(methylamino)ethyl]methanesulfonamide
SMILESCNCCNS(=O)(=O)C(F)F
InChIInChI=1S/C4H10F2N2O2S/c1-7-2-3-8-11(9,10)4(5)6/h4,7-8H,2-3H2,1H3
InChIKeyYQDBCTBXMXHRRW-UHFFFAOYSA-N
MW188.20 g/mol
LogP-0.65
Rot. Bonds5

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

1,1-difluoro-N-[2-(methylamino)ethyl]methanesulfonamide (PubChem CID 62658738) has the molecular formula C4H10F2N2O2S and a molecular weight of 188.20 g/mol. Its IUPAC name is 1,1-difluoro-N-[2-(methylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[2-(methylamino)ethyl]methanesulfonamide
PubChem CID62658738
Molecular FormulaC4H10F2N2O2S
Molecular Weight188.20 g/mol
Exact Mass188.04
IUPAC Name1,1-difluoro-N-[2-(methylamino)ethyl]methanesulfonamide
SMILESCNCCNS(=O)(=O)C(F)F
InChIInChI=1S/C4H10F2N2O2S/c1-7-2-3-8-11(9,10)4(5)6/h4,7-8H,2-3H2,1H3
InChIKeyYQDBCTBXMXHRRW-UHFFFAOYSA-N
XLogP-0.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 5-0.65
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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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[2-(methylamino)ethyl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[2-(methylamino)ethyl]methanesulfonamide (CID 62658738) is 1,1-difluoro-N-[2-(methylamino)ethyl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[2-(methylamino)ethyl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[2-(methylamino)ethyl]methanesulfonamide is CNCCNS(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[2-(methylamino)ethyl]methanesulfonamide?
The InChIKey is YQDBCTBXMXHRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10F2N2O2S/c1-7-2-3-8-11(9,10)4(5)6/h4,7-8H,2-3H2,1H3.
What are the key properties of 1,1-difluoro-N-[2-(methylamino)ethyl]methanesulfonamide?
1,1-difluoro-N-[2-(methylamino)ethyl]methanesulfonamide has a molecular weight of 188.20 g/mol, XLogP of -0.65, 5 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-(methylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 62658738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).