N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine

C10H20F3N3O2S — CID 114812835

IUPACN-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
SMILESNCC1CCCCC1CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O2S/c11-10(12,13)7-16-19(17,18)15-6-9-4-2-1-3-8(9)5-14/h8-9,15-16H,1-7,14H2
InChIKeyOFVZYAMNUUKLDU-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.74
Rot. Bonds6

About N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine

N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine (PubChem CID 114812835) has the molecular formula C10H20F3N3O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
PubChem CID114812835
Molecular FormulaC10H20F3N3O2S
Molecular Weight303.35 g/mol
Exact Mass303.12
IUPAC NameN-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
SMILESNCC1CCCCC1CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O2S/c11-10(12,13)7-16-19(17,18)15-6-9-4-2-1-3-8(9)5-14/h8-9,15-16H,1-7,14H2
InChIKeyOFVZYAMNUUKLDU-UHFFFAOYSA-N
XLogP0.74
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 126625569
1,1-Difluoro-4-[(sulfamoylamino)methyl]cyclohexane
CID 175947615
1-[(Sulfamoylamino)methyl]-4-(trifluoromethyl)cyclohexane
CID 175947647
N-[[2-(aminomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide
CID 65902268
N-[[2-(aminomethyl)cyclohexyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058948
3-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine
CID 106125994
4-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine
CID 106126247
1-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine
CID 113637328
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
CID 114803334
1-cyclohexyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
CID 114803675
2-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
CID 114810960
1-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
CID 114811256

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine (CID 114812835) is N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine is NCC1CCCCC1CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?
The InChIKey is OFVZYAMNUUKLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2S/c11-10(12,13)7-16-19(17,18)15-6-9-4-2-1-3-8(9)5-14/h8-9,15-16H,1-7,14H2.
What are the key properties of N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?
N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine has a molecular weight of 303.35 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 114812835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).