1-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine

C10H20F3N3O2S — CID 114811256

IUPAC1-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
SMILESCC1CCCCC1(CN)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O2S/c1-8-4-2-3-5-9(8,6-14)16-19(17,18)15-7-10(11,12)13/h8,15-16H,2-7,14H2,1H3
InChIKeyOGZUACZYWSYUQR-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.88
Rot. Bonds5

About 1-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine

1-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine (PubChem CID 114811256) has the molecular formula C10H20F3N3O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 1-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
PubChem CID114811256
Molecular FormulaC10H20F3N3O2S
Molecular Weight303.35 g/mol
Exact Mass303.12
IUPAC Name1-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
SMILESCC1CCCCC1(CN)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O2S/c1-8-4-2-3-5-9(8,6-14)16-19(17,18)15-7-10(11,12)13/h8,15-16H,2-7,14H2,1H3
InChIKeyOGZUACZYWSYUQR-UHFFFAOYSA-N
XLogP0.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-2-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058933
1-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine
CID 113637328
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
CID 114803334
1-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
CID 114803364
1-(aminomethyl)-4-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
CID 114803369
1-cyclohexyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
CID 114803675
1-(aminomethyl)-3-methyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
CID 114812805
N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
CID 114812835
N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 115308757
N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 115308876
N-[1-(aminomethyl)-2-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride
CID 121606850
1-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine;hydrochloride
CID 121672586

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine (CID 114811256) is 1-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine is CC1CCCCC1(CN)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine?
The InChIKey is OGZUACZYWSYUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2S/c1-8-4-2-3-5-9(8,6-14)16-19(17,18)15-7-10(11,12)13/h8,15-16H,2-7,14H2,1H3.
What are the key properties of 1-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine?
1-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine has a molecular weight of 303.35 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine is sourced from PubChem (CID 114811256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).