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

C6H14F2N2O2S — CID 62663893

IUPAC1,1-difluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide
SMILESCC(C)NCCNS(=O)(=O)C(F)F
InChIInChI=1S/C6H14F2N2O2S/c1-5(2)9-3-4-10-13(11,12)6(7)8/h5-6,9-10H,3-4H2,1-2H3
InChIKeyJKYOHBALCZKSME-UHFFFAOYSA-N
MW216.25 g/mol
LogP0.13
Rot. Bonds6

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

1,1-difluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide (PubChem CID 62663893) has the molecular formula C6H14F2N2O2S and a molecular weight of 216.25 g/mol. Its IUPAC name is 1,1-difluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide
PubChem CID62663893
Molecular FormulaC6H14F2N2O2S
Molecular Weight216.25 g/mol
Exact Mass216.07
IUPAC Name1,1-difluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide
SMILESCC(C)NCCNS(=O)(=O)C(F)F
InChIInChI=1S/C6H14F2N2O2S/c1-5(2)9-3-4-10-13(11,12)6(7)8/h5-6,9-10H,3-4H2,1-2H3
InChIKeyJKYOHBALCZKSME-UHFFFAOYSA-N
XLogP0.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide (CID 62663893) is 1,1-difluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide is CC(C)NCCNS(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide?
The InChIKey is JKYOHBALCZKSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F2N2O2S/c1-5(2)9-3-4-10-13(11,12)6(7)8/h5-6,9-10H,3-4H2,1-2H3.
What are the key properties of 1,1-difluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide?
1,1-difluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide has a molecular weight of 216.25 g/mol, XLogP of 0.13, 6 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-(propan-2-ylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 62663893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).