N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide

C10H18F3NO3S — CID 90554914

IUPACN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C10H18F3NO3S/c1-8(2)18(15,16)14(7-10(11,12)13)9-3-5-17-6-4-9/h8-9H,3-7H2,1-2H3
InChIKeyZIODJVSFQCBKKT-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.77
Rot. Bonds4

About N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide

N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide (PubChem CID 90554914) has the molecular formula C10H18F3NO3S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
PubChem CID90554914
Molecular FormulaC10H18F3NO3S
Molecular Weight289.32 g/mol
Exact Mass289.10
IUPAC NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C10H18F3NO3S/c1-8(2)18(15,16)14(7-10(11,12)13)9-3-5-17-6-4-9/h8-9H,3-7H2,1-2H3
InChIKeyZIODJVSFQCBKKT-UHFFFAOYSA-N
XLogP1.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide
CID 89281514
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
CID 61355207
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 61355208
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 61384175
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 90554866
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 90554867
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 90554868
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
CID 90554890
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide
CID 90554912
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide
CID 90554931
(2R)-2-methyl-4-(oxan-4-yl)-1-(3,3,3-trifluoropropylsulfonyl)piperazine
CID 137843184
N-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide
CID 21034325

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
The IUPAC name of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide (CID 90554914) is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide.
What is the SMILES notation for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
The canonical SMILES for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide is CC(C)S(=O)(=O)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
The InChIKey is ZIODJVSFQCBKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3S/c1-8(2)18(15,16)14(7-10(11,12)13)9-3-5-17-6-4-9/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide has a molecular weight of 289.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide is sourced from PubChem (CID 90554914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).