N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine

C10H20F3N3O2S — CID 114812939

IUPACN-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
SMILESNCC1(CNS(=O)(=O)NCC(F)(F)F)CCCCC1
InChIInChI=1S/C10H20F3N3O2S/c11-10(12,13)8-16-19(17,18)15-7-9(6-14)4-2-1-3-5-9/h15-16H,1-8,14H2
InChIKeyLDLMXORVLCPQOH-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.88
Rot. Bonds6

About N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine

N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine (PubChem CID 114812939) has the molecular formula C10H20F3N3O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
PubChem CID114812939
Molecular FormulaC10H20F3N3O2S
Molecular Weight303.35 g/mol
Exact Mass303.12
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
SMILESNCC1(CNS(=O)(=O)NCC(F)(F)F)CCCCC1
InChIInChI=1S/C10H20F3N3O2S/c11-10(12,13)8-16-19(17,18)15-7-9(6-14)4-2-1-3-5-9/h15-16H,1-8,14H2
InChIKeyLDLMXORVLCPQOH-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 9994276
N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 103970342
N-[[1-(aminomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide
CID 103970359
N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
CID 114812921
1-Methyl-1-[(sulfamoylamino)methyl]cyclohexane
CID 103753229
1-(Aminomethyl)-1-[(dimethylsulfamoylamino)methyl]cyclohexane
CID 103970353
N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]propan-1-amine
CID 113637718
N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]-2-methylpropan-1-amine
CID 113638277
[1-[(Methylsulfamoylamino)methyl]cyclohexyl]methanamine
CID 114812940
N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]ethanamine
CID 114812941
1-(Aminomethyl)-1-[(sulfamoylamino)methyl]cyclohexane
CID 114959634

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine (CID 114812939) is N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine is NCC1(CNS(=O)(=O)NCC(F)(F)F)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?
The InChIKey is LDLMXORVLCPQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2S/c11-10(12,13)8-16-19(17,18)15-7-9(6-14)4-2-1-3-5-9/h15-16H,1-8,14H2.
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?
N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine has a molecular weight of 303.35 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 114812939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).