N-[(5R)-5-[(1R,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]hexyl]-1,1,1-trifluoromethanesulfonamide

C17H30F3NO2S — CID 162600664

IUPACN-[(5R)-5-[(1R,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]hexyl]-1,1,1-trifluoromethanesulfonamide
SMILESC[C@H](CCCCNS(=O)(=O)C(F)(F)F)[C@H]1CCC2CCCC[C@@]21C
InChIInChI=1S/C17H30F3NO2S/c1-13(7-4-6-12-21-24(22,23)17(18,19)20)15-10-9-14-8-3-5-11-16(14,15)2/h13-15,21H,3-12H2,1-2H3/t13-,14?,15-,16+/m1/s1
InChIKeyNWDSWJKHHHWDER-WZYMTQMTSA-N
MW369.49 g/mol
LogP4.84
Rot. Bonds7

About N-[(5R)-5-[(1R,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]hexyl]-1,1,1-trifluoromethanesulfonamide

N-[(5R)-5-[(1R,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]hexyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 162600664) has the molecular formula C17H30F3NO2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[(5R)-5-[(1R,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]hexyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(5R)-5-[(1R,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]hexyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID162600664
Molecular FormulaC17H30F3NO2S
Molecular Weight369.49 g/mol
Exact Mass369.19
IUPAC NameN-[(5R)-5-[(1R,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]hexyl]-1,1,1-trifluoromethanesulfonamide
SMILESC[C@H](CCCCNS(=O)(=O)C(F)(F)F)[C@H]1CCC2CCCC[C@@]21C
InChIInChI=1S/C17H30F3NO2S/c1-13(7-4-6-12-21-24(22,23)17(18,19)20)15-10-9-14-8-3-5-11-16(14,15)2/h13-15,21H,3-12H2,1-2H3/t13-,14?,15-,16+/m1/s1
InChIKeyNWDSWJKHHHWDER-WZYMTQMTSA-N
XLogP4.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(5R)-5-[(1R,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]hexyl]-1,1,1-trifluoromethanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(5R)-5-[(1R,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]hexyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[(5R)-5-[(1R,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]hexyl]-1,1,1-trifluoromethanesulfonamide (CID 162600664) is N-[(5R)-5-[(1R,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]hexyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[(5R)-5-[(1R,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]hexyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[(5R)-5-[(1R,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]hexyl]-1,1,1-trifluoromethanesulfonamide is C[C@H](CCCCNS(=O)(=O)C(F)(F)F)[C@H]1CCC2CCCC[C@@]21C.
What is the InChIKey of N-[(5R)-5-[(1R,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]hexyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is NWDSWJKHHHWDER-WZYMTQMTSA-N. The full InChI is InChI=1S/C17H30F3NO2S/c1-13(7-4-6-12-21-24(22,23)17(18,19)20)15-10-9-14-8-3-5-11-16(14,15)2/h13-15,21H,3-12H2,1-2H3/t13-,14?,15-,16+/m1/s1.
What are the key properties of N-[(5R)-5-[(1R,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]hexyl]-1,1,1-trifluoromethanesulfonamide?
N-[(5R)-5-[(1R,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]hexyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 369.49 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-5-[(1R,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]hexyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 162600664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).