2-methyl-N-[4-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide

C14H23F3N4O2S2 — CID 59230439

IUPAC2-methyl-N-[4-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(CNc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C14H23F3N4O2S2/c1-13(2,3)25(22,23)21-10-6-4-9(5-7-10)8-18-12-20-19-11(24-12)14(15,16)17/h9-10,21H,4-8H2,1-3H3,(H,18,20)
InChIKeyAGUNXMVOJYIZLT-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.25
Rot. Bonds5

About 2-methyl-N-[4-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide

2-methyl-N-[4-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide (PubChem CID 59230439) has the molecular formula C14H23F3N4O2S2 and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-methyl-N-[4-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide
PubChem CID59230439
Molecular FormulaC14H23F3N4O2S2
Molecular Weight400.49 g/mol
Exact Mass400.12
IUPAC Name2-methyl-N-[4-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(CNc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C14H23F3N4O2S2/c1-13(2,3)25(22,23)21-10-6-4-9(5-7-10)8-18-12-20-19-11(24-12)14(15,16)17/h9-10,21H,4-8H2,1-3H3,(H,18,20)
InChIKeyAGUNXMVOJYIZLT-UHFFFAOYSA-N
XLogP3.25
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[4-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide with MolForge

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Related Compounds

4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide
CID 20629111
N-[(4-aminocyclohexyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 59229897
2-methyl-N-[5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentyl]propane-2-sulfonamide
CID 59230983
N-[4-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70939232
N-[(3-aminocyclohexyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106128435
5-(2-methylpropyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 106260354
5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 107647933
5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 107648368
N-[4-(aminomethyl)cyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 112753158
N-(2-ethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113586088
N-(4-methylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113586207
N-(2-methylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448075

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-[4-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide (CID 59230439) is 2-methyl-N-[4-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-[4-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-[4-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC1CCC(CNc2nnc(C(F)(F)F)s2)CC1.
What is the InChIKey of 2-methyl-N-[4-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide?
The InChIKey is AGUNXMVOJYIZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4O2S2/c1-13(2,3)25(22,23)21-10-6-4-9(5-7-10)8-18-12-20-19-11(24-12)14(15,16)17/h9-10,21H,4-8H2,1-3H3,(H,18,20).
What are the key properties of 2-methyl-N-[4-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide?
2-methyl-N-[4-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide has a molecular weight of 400.49 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 59230439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).