N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine

C8H16F3N3O2S — CID 114813039

IUPACN-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
SMILESNCCC1(CNS(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C8H16F3N3O2S/c9-8(10,11)6-14-17(15,16)13-5-7(1-2-7)3-4-12/h13-14H,1-6,12H2
InChIKeyZOBJXXVBJDBQHQ-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.10
Rot. Bonds7

About N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine

N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine (PubChem CID 114813039) has the molecular formula C8H16F3N3O2S and a molecular weight of 275.30 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
PubChem CID114813039
Molecular FormulaC8H16F3N3O2S
Molecular Weight275.30 g/mol
Exact Mass275.09
IUPAC NameN-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
SMILESNCCC1(CNS(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C8H16F3N3O2S/c9-8(10,11)6-14-17(15,16)13-5-7(1-2-7)3-4-12/h13-14H,1-6,12H2
InChIKeyZOBJXXVBJDBQHQ-UHFFFAOYSA-N
XLogP0.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine
CID 106141425
2,2-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,5-diamine
CID 114149107
2,2-diethyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine
CID 114164159
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 114759051
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide
CID 114759066
2-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine
CID 114812908
N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]propan-1-amine
CID 114813040
2-[1-[(Methylsulfamoylamino)methyl]cyclopropyl]ethanamine
CID 114813041
2-[1-[(Ethylsulfamoylamino)methyl]cyclopropyl]ethanamine
CID 114813042
N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]-2-methylpropan-1-amine
CID 114816809
1-(2-Aminoethyl)-1-[(sulfamoylamino)methyl]cyclopropane
CID 114959649

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine (CID 114813039) is N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine is NCCC1(CNS(=O)(=O)NCC(F)(F)F)CC1.
What is the InChIKey of N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?
The InChIKey is ZOBJXXVBJDBQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O2S/c9-8(10,11)6-14-17(15,16)13-5-7(1-2-7)3-4-12/h13-14H,1-6,12H2.
What are the key properties of N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?
N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine has a molecular weight of 275.30 g/mol, XLogP of 0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 114813039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).