N-cyclohexyl-1,1,1-trifluoro-3-naphthalen-1-ylsulfinylpropan-2-imine

C19H20F3NOS — CID 102377475

IUPACN-cyclohexyl-1,1,1-trifluoro-3-naphthalen-1-ylsulfinylpropan-2-imine
SMILESO=S(C/C(=N/C1CCCCC1)C(F)(F)F)c1cccc2ccccc12
InChIInChI=1S/C19H20F3NOS/c20-19(21,22)18(23-15-9-2-1-3-10-15)13-25(24)17-12-6-8-14-7-4-5-11-16(14)17/h4-8,11-12,15H,1-3,9-10,13H2/b23-18-
InChIKeyKUUMADQIZRIPLX-NKFKGCMQSA-N
MW367.44 g/mol
LogP5.28
Rot. Bonds4

About N-cyclohexyl-1,1,1-trifluoro-3-naphthalen-1-ylsulfinylpropan-2-imine

N-cyclohexyl-1,1,1-trifluoro-3-naphthalen-1-ylsulfinylpropan-2-imine (PubChem CID 102377475) has the molecular formula C19H20F3NOS and a molecular weight of 367.44 g/mol. Its IUPAC name is N-cyclohexyl-1,1,1-trifluoro-3-naphthalen-1-ylsulfinylpropan-2-imine.

Molecular Properties

Compound NameN-cyclohexyl-1,1,1-trifluoro-3-naphthalen-1-ylsulfinylpropan-2-imine
PubChem CID102377475
Molecular FormulaC19H20F3NOS
Molecular Weight367.44 g/mol
Exact Mass367.12
IUPAC NameN-cyclohexyl-1,1,1-trifluoro-3-naphthalen-1-ylsulfinylpropan-2-imine
SMILESO=S(C/C(=N/C1CCCCC1)C(F)(F)F)c1cccc2ccccc12
InChIInChI=1S/C19H20F3NOS/c20-19(21,22)18(23-15-9-2-1-3-10-15)13-25(24)17-12-6-8-14-7-4-5-11-16(14)17/h4-8,11-12,15H,1-3,9-10,13H2/b23-18-
InChIKeyKUUMADQIZRIPLX-NKFKGCMQSA-N
XLogP5.28
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.44
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-ylsulfinylacetic acid
CID 121009246
N-cyclohexyl-1,1,1-trifluoro-3-(3-nitrophenyl)propan-2-imine
CID 46183819
1-cyclohexyl-2-(2-methylphenyl)sulfinylethanone
CID 113449628
2-cyclohexylsulfinyl-1-(2-cyclohexylsulfinylnaphthalen-1-yl)naphthalene
CID 102361074
N-cyclohexyl-2-(2-fluorophenyl)sulfinylacetamide
CID 63792281
benzyl N-[(2R)-1-chloro-1,1-difluoro-3-[(S)-naphthalen-1-ylsulfinyl]propan-2-yl]carbamate
CID 11282047
N'-cyclohexylnaphthalene-1-carbohydrazide
CID 22613432
2-[N-[(1R,2R)-2-aminocyclohexyl]-C-naphthalen-1-ylcarbonimidoyl]phenol
CID 135912189
[(1-amino-2-naphthalen-1-ylethylidene)amino] cyclohexanecarboxylate
CID 3815100
2-(N-cyclohexyl-C-methylcarbonimidoyl)aniline;trifluoromethanesulfonic acid
CID 53349206
azane;2-cyclohexyl-1-nitrosonaphthalene
CID 88719595
[2-(naphthalen-1-ylmethylsulfinyl)phenyl]methanol
CID 15312401

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,1,1-trifluoro-3-naphthalen-1-ylsulfinylpropan-2-imine?
The IUPAC name of N-cyclohexyl-1,1,1-trifluoro-3-naphthalen-1-ylsulfinylpropan-2-imine (CID 102377475) is N-cyclohexyl-1,1,1-trifluoro-3-naphthalen-1-ylsulfinylpropan-2-imine.
What is the SMILES notation for N-cyclohexyl-1,1,1-trifluoro-3-naphthalen-1-ylsulfinylpropan-2-imine?
The canonical SMILES for N-cyclohexyl-1,1,1-trifluoro-3-naphthalen-1-ylsulfinylpropan-2-imine is O=S(C/C(=N/C1CCCCC1)C(F)(F)F)c1cccc2ccccc12.
What is the InChIKey of N-cyclohexyl-1,1,1-trifluoro-3-naphthalen-1-ylsulfinylpropan-2-imine?
The InChIKey is KUUMADQIZRIPLX-NKFKGCMQSA-N. The full InChI is InChI=1S/C19H20F3NOS/c20-19(21,22)18(23-15-9-2-1-3-10-15)13-25(24)17-12-6-8-14-7-4-5-11-16(14)17/h4-8,11-12,15H,1-3,9-10,13H2/b23-18-.
What are the key properties of N-cyclohexyl-1,1,1-trifluoro-3-naphthalen-1-ylsulfinylpropan-2-imine?
N-cyclohexyl-1,1,1-trifluoro-3-naphthalen-1-ylsulfinylpropan-2-imine has a molecular weight of 367.44 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,1,1-trifluoro-3-naphthalen-1-ylsulfinylpropan-2-imine is sourced from PubChem (CID 102377475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).