4-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)oxan-4-amine

C8H16F3N3O3S — CID 114170108

IUPAC4-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)oxan-4-amine
SMILESNCC1(NS(=O)(=O)NCC(F)(F)F)CCOCC1
InChIInChI=1S/C8H16F3N3O3S/c9-8(10,11)6-13-18(15,16)14-7(5-12)1-3-17-4-2-7/h13-14H,1-6,12H2
InChIKeyRHIZQLYWFCWTAV-UHFFFAOYSA-N
MW291.30 g/mol
LogP-0.52
Rot. Bonds5

About 4-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)oxan-4-amine

4-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)oxan-4-amine (PubChem CID 114170108) has the molecular formula C8H16F3N3O3S and a molecular weight of 291.30 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)oxan-4-amine
PubChem CID114170108
Molecular FormulaC8H16F3N3O3S
Molecular Weight291.30 g/mol
Exact Mass291.09
IUPAC Name4-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)oxan-4-amine
SMILESNCC1(NS(=O)(=O)NCC(F)(F)F)CCOCC1
InChIInChI=1S/C8H16F3N3O3S/c9-8(10,11)6-13-18(15,16)14-7(5-12)1-3-17-4-2-7/h13-14H,1-6,12H2
InChIKeyRHIZQLYWFCWTAV-UHFFFAOYSA-N
XLogP-0.52
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106297743
N-[4-(aminomethyl)oxan-4-yl]-1,1-difluoromethanesulfonamide
CID 106297808
4-(aminomethyl)-N-(2-methoxyethylsulfamoyl)oxan-4-amine
CID 106297703
4-(aminomethyl)-N-(propan-2-ylsulfamoyl)oxan-4-amine
CID 106297746
4-(aminomethyl)-N-(cyclopropylsulfamoyl)oxan-4-amine
CID 106297749
4-(aminomethyl)-N-(ethylsulfamoyl)oxan-4-amine
CID 106297771
4-(aminomethyl)-N-(methylsulfamoyl)oxan-4-amine
CID 106297780
4-(aminomethyl)-N-(tert-butylsulfamoyl)oxan-4-amine
CID 106297783
4-(aminomethyl)-N-(propylsulfamoyl)oxan-4-amine
CID 106297859
4-(Aminomethyl)-4-(dimethylsulfamoylamino)oxane
CID 106297876
4-(Aminomethyl)-4-(sulfamoylamino)oxane
CID 106297885
4-(aminomethyl)-N-(2-methylpropylsulfamoyl)oxan-4-amine
CID 114170084

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)oxan-4-amine (CID 114170108) is 4-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)oxan-4-amine is NCC1(NS(=O)(=O)NCC(F)(F)F)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)oxan-4-amine?
The InChIKey is RHIZQLYWFCWTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O3S/c9-8(10,11)6-13-18(15,16)14-7(5-12)1-3-17-4-2-7/h13-14H,1-6,12H2.
What are the key properties of 4-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)oxan-4-amine?
4-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)oxan-4-amine has a molecular weight of 291.30 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)oxan-4-amine is sourced from PubChem (CID 114170108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).