N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-methoxyethanesulfonamide

C10H18F3NO3S — CID 97351033

IUPACN-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)N[C@@H](C1CCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO3S/c1-17-6-7-18(15,16)14-9(10(11,12)13)8-4-2-3-5-8/h8-9,14H,2-7H2,1H3/t9-/m0/s1
InChIKeyQUYRAJLURCWSJW-VIFPVBQESA-N
MW289.32 g/mol
LogP1.67
Rot. Bonds6

About N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-methoxyethanesulfonamide

N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-methoxyethanesulfonamide (PubChem CID 97351033) has the molecular formula C10H18F3NO3S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-methoxyethanesulfonamide
PubChem CID97351033
Molecular FormulaC10H18F3NO3S
Molecular Weight289.32 g/mol
Exact Mass289.10
IUPAC NameN-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)N[C@@H](C1CCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO3S/c1-17-6-7-18(15,16)14-9(10(11,12)13)8-4-2-3-5-8/h8-9,14H,2-7H2,1H3/t9-/m0/s1
InChIKeyQUYRAJLURCWSJW-VIFPVBQESA-N
XLogP1.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-methoxyethanesulfonamide (CID 97351033) is N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)N[C@@H](C1CCCC1)C(F)(F)F.
What is the InChIKey of N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-methoxyethanesulfonamide?
The InChIKey is QUYRAJLURCWSJW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18F3NO3S/c1-17-6-7-18(15,16)14-9(10(11,12)13)8-4-2-3-5-8/h8-9,14H,2-7H2,1H3/t9-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-methoxyethanesulfonamide?
N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-methoxyethanesulfonamide has a molecular weight of 289.32 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 97351033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).