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

C10H19F3N2O3S — CID 106297743

IUPACN-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESNCC1(NS(=O)(=O)CCCC(F)(F)F)CCOCC1
InChIInChI=1S/C10H19F3N2O3S/c11-10(12,13)2-1-7-19(16,17)15-9(8-14)3-5-18-6-4-9/h15H,1-8,14H2
InChIKeyKIZMIEGUBIQGOV-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.76
Rot. Bonds6

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

N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 106297743) has the molecular formula C10H19F3N2O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID106297743
Molecular FormulaC10H19F3N2O3S
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESNCC1(NS(=O)(=O)CCCC(F)(F)F)CCOCC1
InChIInChI=1S/C10H19F3N2O3S/c11-10(12,13)2-1-7-19(16,17)15-9(8-14)3-5-18-6-4-9/h15H,1-8,14H2
InChIKeyKIZMIEGUBIQGOV-UHFFFAOYSA-N
XLogP0.76
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-N-[(3R,4R)-3-amino-4-(difluoromethyl)oxan-4-yl]-2-methylpropane-2-sulfinamide
CID 121422071
[[(3R,4R)-3-amino-4-(difluoromethyl)oxan-4-yl]amino]-tert-butyl-oxidosulfanium
CID 173638862
1-[4-(aminomethyl)oxan-4-yl]-N-(trifluoromethyl)methanesulfonamide
CID 9817031
N-[4-(aminomethyl)oxan-4-yl]-1,1-difluoromethanesulfonamide
CID 106297808
4-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)oxan-4-amine
CID 114170108
1-[(1R,2R)-2-(difluoromethyl)cyclopropyl]-N-(oxan-4-ylmethyl)methanesulfonamide
CID 146149491
N-[3-(aminomethyl)pentan-3-yl]oxane-4-sulfonamide
CID 62048062
N-(1-amino-2-methylbutan-2-yl)oxane-4-sulfonamide
CID 62048246
N-[4-(aminomethyl)oxan-4-yl]-2-methoxyethanesulfonamide
CID 106297737
N-[4-(aminomethyl)oxan-4-yl]-2-methylpropane-2-sulfonamide
CID 106297739
N-[4-(aminomethyl)oxan-4-yl]-2-propan-2-yloxyethanesulfonamide
CID 106297741
N-[4-(aminomethyl)oxan-4-yl]propane-1-sulfonamide
CID 106297750

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutane-1-sulfonamide (CID 106297743) is N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutane-1-sulfonamide is NCC1(NS(=O)(=O)CCCC(F)(F)F)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is KIZMIEGUBIQGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3S/c11-10(12,13)2-1-7-19(16,17)15-9(8-14)3-5-18-6-4-9/h15H,1-8,14H2.
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 304.33 g/mol, XLogP of 0.76, 6 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]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 106297743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).