N-(2-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide

C5H12F2N2O2S — CID 63767532

IUPACN-(2-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide
SMILESCC(N)CN(C)S(=O)(=O)C(F)F
InChIInChI=1S/C5H12F2N2O2S/c1-4(8)3-9(2)12(10,11)5(6)7/h4-5H,3,8H2,1-2H3
InChIKeyXBXAHAUEPIMQPI-UHFFFAOYSA-N
MW202.23 g/mol
LogP-0.18
Rot. Bonds4

About N-(2-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide

N-(2-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide (PubChem CID 63767532) has the molecular formula C5H12F2N2O2S and a molecular weight of 202.23 g/mol. Its IUPAC name is N-(2-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide
PubChem CID63767532
Molecular FormulaC5H12F2N2O2S
Molecular Weight202.23 g/mol
Exact Mass202.06
IUPAC NameN-(2-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide
SMILESCC(N)CN(C)S(=O)(=O)C(F)F
InChIInChI=1S/C5H12F2N2O2S/c1-4(8)3-9(2)12(10,11)5(6)7/h4-5H,3,8H2,1-2H3
InChIKeyXBXAHAUEPIMQPI-UHFFFAOYSA-N
XLogP-0.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide?
The IUPAC name of N-(2-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide (CID 63767532) is N-(2-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide is CC(N)CN(C)S(=O)(=O)C(F)F.
What is the InChIKey of N-(2-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide?
The InChIKey is XBXAHAUEPIMQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F2N2O2S/c1-4(8)3-9(2)12(10,11)5(6)7/h4-5H,3,8H2,1-2H3.
What are the key properties of N-(2-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide?
N-(2-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide has a molecular weight of 202.23 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 63767532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).