N-ethyl-1,1,1-trifluoro-N-[(1R,2R)-2-hex-1-ynylcyclopentyl]methanesulfonamide

C14H22F3NO2S — CID 11393203

IUPACN-ethyl-1,1,1-trifluoro-N-[(1R,2R)-2-hex-1-ynylcyclopentyl]methanesulfonamide
SMILESCCCCC#C[C@H]1CCC[C@H]1N(CC)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H22F3NO2S/c1-3-5-6-7-9-12-10-8-11-13(12)18(4-2)21(19,20)14(15,16)17/h12-13H,3-6,8,10-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyQBDDUFGMRXPWEN-QWHCGFSZSA-N
MW325.40 g/mol
LogP3.52
Rot. Bonds5

About N-ethyl-1,1,1-trifluoro-N-[(1R,2R)-2-hex-1-ynylcyclopentyl]methanesulfonamide

N-ethyl-1,1,1-trifluoro-N-[(1R,2R)-2-hex-1-ynylcyclopentyl]methanesulfonamide (PubChem CID 11393203) has the molecular formula C14H22F3NO2S and a molecular weight of 325.40 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-N-[(1R,2R)-2-hex-1-ynylcyclopentyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-N-[(1R,2R)-2-hex-1-ynylcyclopentyl]methanesulfonamide
PubChem CID11393203
Molecular FormulaC14H22F3NO2S
Molecular Weight325.40 g/mol
Exact Mass325.13
IUPAC NameN-ethyl-1,1,1-trifluoro-N-[(1R,2R)-2-hex-1-ynylcyclopentyl]methanesulfonamide
SMILESCCCCC#C[C@H]1CCC[C@H]1N(CC)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H22F3NO2S/c1-3-5-6-7-9-12-10-8-11-13(12)18(4-2)21(19,20)14(15,16)17/h12-13H,3-6,8,10-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyQBDDUFGMRXPWEN-QWHCGFSZSA-N
XLogP3.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-difluoroethyl)-N-[(1R,3S)-3-methylcyclopentyl]methanesulfonamide
CID 144507269
N-(2,2-difluoroethyl)-N-[(1R,3S)-3-ethylcyclopentyl]methanesulfonamide
CID 147598886

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-N-[(1R,2R)-2-hex-1-ynylcyclopentyl]methanesulfonamide?
The IUPAC name of N-ethyl-1,1,1-trifluoro-N-[(1R,2R)-2-hex-1-ynylcyclopentyl]methanesulfonamide (CID 11393203) is N-ethyl-1,1,1-trifluoro-N-[(1R,2R)-2-hex-1-ynylcyclopentyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-N-[(1R,2R)-2-hex-1-ynylcyclopentyl]methanesulfonamide?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-N-[(1R,2R)-2-hex-1-ynylcyclopentyl]methanesulfonamide is CCCCC#C[C@H]1CCC[C@H]1N(CC)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-N-[(1R,2R)-2-hex-1-ynylcyclopentyl]methanesulfonamide?
The InChIKey is QBDDUFGMRXPWEN-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H22F3NO2S/c1-3-5-6-7-9-12-10-8-11-13(12)18(4-2)21(19,20)14(15,16)17/h12-13H,3-6,8,10-11H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of N-ethyl-1,1,1-trifluoro-N-[(1R,2R)-2-hex-1-ynylcyclopentyl]methanesulfonamide?
N-ethyl-1,1,1-trifluoro-N-[(1R,2R)-2-hex-1-ynylcyclopentyl]methanesulfonamide has a molecular weight of 325.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoro-N-[(1R,2R)-2-hex-1-ynylcyclopentyl]methanesulfonamide is sourced from PubChem (CID 11393203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).