N-[4-(aminomethyl)oxan-4-yl]-1,1-difluoromethanesulfonamide

C7H14F2N2O3S — CID 106297808

IUPACN-[4-(aminomethyl)oxan-4-yl]-1,1-difluoromethanesulfonamide
SMILESNCC1(NS(=O)(=O)C(F)F)CCOCC1
InChIInChI=1S/C7H14F2N2O3S/c8-6(9)15(12,13)11-7(5-10)1-3-14-4-2-7/h6,11H,1-5,10H2
InChIKeyLHRDBPZLYLZWQV-UHFFFAOYSA-N
MW244.26 g/mol
LogP-0.36
Rot. Bonds4

About N-[4-(aminomethyl)oxan-4-yl]-1,1-difluoromethanesulfonamide

N-[4-(aminomethyl)oxan-4-yl]-1,1-difluoromethanesulfonamide (PubChem CID 106297808) has the molecular formula C7H14F2N2O3S and a molecular weight of 244.26 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-1,1-difluoromethanesulfonamide
PubChem CID106297808
Molecular FormulaC7H14F2N2O3S
Molecular Weight244.26 g/mol
Exact Mass244.07
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-1,1-difluoromethanesulfonamide
SMILESNCC1(NS(=O)(=O)C(F)F)CCOCC1
InChIInChI=1S/C7H14F2N2O3S/c8-6(9)15(12,13)11-7(5-10)1-3-14-4-2-7/h6,11H,1-5,10H2
InChIKeyLHRDBPZLYLZWQV-UHFFFAOYSA-N
XLogP-0.36
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106297743
4-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)oxan-4-amine
CID 114170108
N-[4-(aminomethyl)oxan-4-yl]methanesulfonamide
CID 106297838

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-1,1-difluoromethanesulfonamide (CID 106297808) is N-[4-(aminomethyl)oxan-4-yl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-1,1-difluoromethanesulfonamide is NCC1(NS(=O)(=O)C(F)F)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-1,1-difluoromethanesulfonamide?
The InChIKey is LHRDBPZLYLZWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O3S/c8-6(9)15(12,13)11-7(5-10)1-3-14-4-2-7/h6,11H,1-5,10H2.
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-1,1-difluoromethanesulfonamide?
N-[4-(aminomethyl)oxan-4-yl]-1,1-difluoromethanesulfonamide has a molecular weight of 244.26 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 106297808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).