N-(2-aminoethyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide

C6H14F2N2O2S — CID 61351057

IUPACN-(2-aminoethyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCN)S(=O)(=O)C(F)F
InChIInChI=1S/C6H14F2N2O2S/c1-5(2)10(4-3-9)13(11,12)6(7)8/h5-6H,3-4,9H2,1-2H3
InChIKeyOMDQHJJFTXHEGI-UHFFFAOYSA-N
MW216.25 g/mol
LogP0.21
Rot. Bonds5

About N-(2-aminoethyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide

N-(2-aminoethyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide (PubChem CID 61351057) has the molecular formula C6H14F2N2O2S and a molecular weight of 216.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide
PubChem CID61351057
Molecular FormulaC6H14F2N2O2S
Molecular Weight216.25 g/mol
Exact Mass216.07
IUPAC NameN-(2-aminoethyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCN)S(=O)(=O)C(F)F
InChIInChI=1S/C6H14F2N2O2S/c1-5(2)10(4-3-9)13(11,12)6(7)8/h5-6H,3-4,9H2,1-2H3
InChIKeyOMDQHJJFTXHEGI-UHFFFAOYSA-N
XLogP0.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-(2-aminoethyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide (CID 61351057) is N-(2-aminoethyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide is CC(C)N(CCN)S(=O)(=O)C(F)F.
What is the InChIKey of N-(2-aminoethyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide?
The InChIKey is OMDQHJJFTXHEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F2N2O2S/c1-5(2)10(4-3-9)13(11,12)6(7)8/h5-6H,3-4,9H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide?
N-(2-aminoethyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide has a molecular weight of 216.25 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 61351057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).