3,3,3-trifluoro-N-(4-thionitrosocyclohexyl)propane-1-sulfonamide

C9H15F3N2O2S2 — CID 122503482

IUPAC3,3,3-trifluoro-N-(4-thionitrosocyclohexyl)propane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)F)NC1CCC(N=S)CC1
InChIInChI=1S/C9H15F3N2O2S2/c10-9(11,12)5-6-18(15,16)14-8-3-1-7(13-17)2-4-8/h7-8,14H,1-6H2
InChIKeyVMUKQPUNGZHRBI-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.90
Rot. Bonds5

About 3,3,3-trifluoro-N-(4-thionitrosocyclohexyl)propane-1-sulfonamide

3,3,3-trifluoro-N-(4-thionitrosocyclohexyl)propane-1-sulfonamide (PubChem CID 122503482) has the molecular formula C9H15F3N2O2S2 and a molecular weight of 304.36 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(4-thionitrosocyclohexyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(4-thionitrosocyclohexyl)propane-1-sulfonamide
PubChem CID122503482
Molecular FormulaC9H15F3N2O2S2
Molecular Weight304.36 g/mol
Exact Mass304.05
IUPAC Name3,3,3-trifluoro-N-(4-thionitrosocyclohexyl)propane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)F)NC1CCC(N=S)CC1
InChIInChI=1S/C9H15F3N2O2S2/c10-9(11,12)5-6-18(15,16)14-8-3-1-7(13-17)2-4-8/h7-8,14H,1-6H2
InChIKeyVMUKQPUNGZHRBI-UHFFFAOYSA-N
XLogP1.90
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-cyclohexylethanesulfonamide
CID 3145398
N-Cyclohexyl-1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonamide
CID 23462806
N-(4,4-difluorocyclohexyl)cyclopropanesulfonamide
CID 121021911
N-cyclohexyl-3-fluoropropane-1-sulfonamide
CID 129397177
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecylsulfonylamino)cyclohexyl]undecane-1-sulfonamide
CID 59945277
N-[(1S,2S)-2-aminocyclohexyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 88155364
N-cyclohexyl-1,1-difluoroethanesulfonamide
CID 118150833
3,3,3-trifluoro-N-(4-isothiocyanatocyclohexyl)propane-1-sulfonamide
CID 122480191
N-cyclohexyl-1-fluoroethanesulfonamide
CID 123992888
N-cyclohexyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
CID 129294965
N-cyclohexyl-1,1,2,2,2-pentafluoroethanesulfonamide
CID 129294969
Rel-N-((1r,4r)-4-aminocyclohexyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 138525563

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(4-thionitrosocyclohexyl)propane-1-sulfonamide?
The IUPAC name of 3,3,3-trifluoro-N-(4-thionitrosocyclohexyl)propane-1-sulfonamide (CID 122503482) is 3,3,3-trifluoro-N-(4-thionitrosocyclohexyl)propane-1-sulfonamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(4-thionitrosocyclohexyl)propane-1-sulfonamide?
The canonical SMILES for 3,3,3-trifluoro-N-(4-thionitrosocyclohexyl)propane-1-sulfonamide is O=S(=O)(CCC(F)(F)F)NC1CCC(N=S)CC1.
What is the InChIKey of 3,3,3-trifluoro-N-(4-thionitrosocyclohexyl)propane-1-sulfonamide?
The InChIKey is VMUKQPUNGZHRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2S2/c10-9(11,12)5-6-18(15,16)14-8-3-1-7(13-17)2-4-8/h7-8,14H,1-6H2.
What are the key properties of 3,3,3-trifluoro-N-(4-thionitrosocyclohexyl)propane-1-sulfonamide?
3,3,3-trifluoro-N-(4-thionitrosocyclohexyl)propane-1-sulfonamide has a molecular weight of 304.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(4-thionitrosocyclohexyl)propane-1-sulfonamide is sourced from PubChem (CID 122503482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).