N-[(5R)-5-[(1R,2S)-2-butyl-2,3-dimethylcyclopentyl]hexyl]-1,1,1-trifluoromethanesulfonamide

C18H34F3NO2S — CID 70251470

IUPACN-[(5R)-5-[(1R,2S)-2-butyl-2,3-dimethylcyclopentyl]hexyl]-1,1,1-trifluoromethanesulfonamide
SMILESCCCC[C@@]1(C)C(C)CC[C@@H]1[C@H](C)CCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C18H34F3NO2S/c1-5-6-12-17(4)15(3)10-11-16(17)14(2)9-7-8-13-22-25(23,24)18(19,20)21/h14-16,22H,5-13H2,1-4H3/t14-,15?,16-,17+/m1/s1
InChIKeyUSONHDSPJDMGSZ-MGNMYUMUSA-N
MW385.54 g/mol
LogP5.47
Rot. Bonds10

About N-[(5R)-5-[(1R,2S)-2-butyl-2,3-dimethylcyclopentyl]hexyl]-1,1,1-trifluoromethanesulfonamide

N-[(5R)-5-[(1R,2S)-2-butyl-2,3-dimethylcyclopentyl]hexyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 70251470) has the molecular formula C18H34F3NO2S and a molecular weight of 385.54 g/mol. Its IUPAC name is N-[(5R)-5-[(1R,2S)-2-butyl-2,3-dimethylcyclopentyl]hexyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(5R)-5-[(1R,2S)-2-butyl-2,3-dimethylcyclopentyl]hexyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID70251470
Molecular FormulaC18H34F3NO2S
Molecular Weight385.54 g/mol
Exact Mass385.23
IUPAC NameN-[(5R)-5-[(1R,2S)-2-butyl-2,3-dimethylcyclopentyl]hexyl]-1,1,1-trifluoromethanesulfonamide
SMILESCCCC[C@@]1(C)C(C)CC[C@@H]1[C@H](C)CCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C18H34F3NO2S/c1-5-6-12-17(4)15(3)10-11-16(17)14(2)9-7-8-13-22-25(23,24)18(19,20)21/h14-16,22H,5-13H2,1-4H3/t14-,15?,16-,17+/m1/s1
InChIKeyUSONHDSPJDMGSZ-MGNMYUMUSA-N
XLogP5.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.54
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5R)-5-[(1R,2S)-2-butyl-2,3-dimethylcyclopentyl]hexyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[(5R)-5-[(1R,2S)-2-butyl-2,3-dimethylcyclopentyl]hexyl]-1,1,1-trifluoromethanesulfonamide (CID 70251470) is N-[(5R)-5-[(1R,2S)-2-butyl-2,3-dimethylcyclopentyl]hexyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[(5R)-5-[(1R,2S)-2-butyl-2,3-dimethylcyclopentyl]hexyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[(5R)-5-[(1R,2S)-2-butyl-2,3-dimethylcyclopentyl]hexyl]-1,1,1-trifluoromethanesulfonamide is CCCC[C@@]1(C)C(C)CC[C@@H]1[C@H](C)CCCCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[(5R)-5-[(1R,2S)-2-butyl-2,3-dimethylcyclopentyl]hexyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is USONHDSPJDMGSZ-MGNMYUMUSA-N. The full InChI is InChI=1S/C18H34F3NO2S/c1-5-6-12-17(4)15(3)10-11-16(17)14(2)9-7-8-13-22-25(23,24)18(19,20)21/h14-16,22H,5-13H2,1-4H3/t14-,15?,16-,17+/m1/s1.
What are the key properties of N-[(5R)-5-[(1R,2S)-2-butyl-2,3-dimethylcyclopentyl]hexyl]-1,1,1-trifluoromethanesulfonamide?
N-[(5R)-5-[(1R,2S)-2-butyl-2,3-dimethylcyclopentyl]hexyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 385.54 g/mol, XLogP of 5.47, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-5-[(1R,2S)-2-butyl-2,3-dimethylcyclopentyl]hexyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 70251470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).