N-(1-cyclopentyl-2,2,2-trifluoroethyl)-1-(oxan-4-yl)methanesulfonamide

C13H22F3NO3S — CID 75438943

IUPACN-(1-cyclopentyl-2,2,2-trifluoroethyl)-1-(oxan-4-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCOCC1)NC(C1CCCC1)C(F)(F)F
InChIInChI=1S/C13H22F3NO3S/c14-13(15,16)12(11-3-1-2-4-11)17-21(18,19)9-10-5-7-20-8-6-10/h10-12,17H,1-9H2
InChIKeyDIVQSDGQBUJFJA-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.45
Rot. Bonds5

About N-(1-cyclopentyl-2,2,2-trifluoroethyl)-1-(oxan-4-yl)methanesulfonamide

N-(1-cyclopentyl-2,2,2-trifluoroethyl)-1-(oxan-4-yl)methanesulfonamide (PubChem CID 75438943) has the molecular formula C13H22F3NO3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(1-cyclopentyl-2,2,2-trifluoroethyl)-1-(oxan-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-cyclopentyl-2,2,2-trifluoroethyl)-1-(oxan-4-yl)methanesulfonamide
PubChem CID75438943
Molecular FormulaC13H22F3NO3S
Molecular Weight329.38 g/mol
Exact Mass329.13
IUPAC NameN-(1-cyclopentyl-2,2,2-trifluoroethyl)-1-(oxan-4-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCOCC1)NC(C1CCCC1)C(F)(F)F
InChIInChI=1S/C13H22F3NO3S/c14-13(15,16)12(11-3-1-2-4-11)17-21(18,19)9-10-5-7-20-8-6-10/h10-12,17H,1-9H2
InChIKeyDIVQSDGQBUJFJA-UHFFFAOYSA-N
XLogP2.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentyl-2,2,2-trifluoroethyl)-1-(oxan-4-yl)methanesulfonamide?
The IUPAC name of N-(1-cyclopentyl-2,2,2-trifluoroethyl)-1-(oxan-4-yl)methanesulfonamide (CID 75438943) is N-(1-cyclopentyl-2,2,2-trifluoroethyl)-1-(oxan-4-yl)methanesulfonamide.
What is the SMILES notation for N-(1-cyclopentyl-2,2,2-trifluoroethyl)-1-(oxan-4-yl)methanesulfonamide?
The canonical SMILES for N-(1-cyclopentyl-2,2,2-trifluoroethyl)-1-(oxan-4-yl)methanesulfonamide is O=S(=O)(CC1CCOCC1)NC(C1CCCC1)C(F)(F)F.
What is the InChIKey of N-(1-cyclopentyl-2,2,2-trifluoroethyl)-1-(oxan-4-yl)methanesulfonamide?
The InChIKey is DIVQSDGQBUJFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO3S/c14-13(15,16)12(11-3-1-2-4-11)17-21(18,19)9-10-5-7-20-8-6-10/h10-12,17H,1-9H2.
What are the key properties of N-(1-cyclopentyl-2,2,2-trifluoroethyl)-1-(oxan-4-yl)methanesulfonamide?
N-(1-cyclopentyl-2,2,2-trifluoroethyl)-1-(oxan-4-yl)methanesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentyl-2,2,2-trifluoroethyl)-1-(oxan-4-yl)methanesulfonamide is sourced from PubChem (CID 75438943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).