N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide

C10H16F3NO3S — CID 90554912

IUPACN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide
SMILESO=S(=O)(C1CC1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C10H16F3NO3S/c11-10(12,13)7-14(8-3-5-17-6-4-8)18(15,16)9-1-2-9/h8-9H,1-7H2
InChIKeyHDKXFKSYXBYRLV-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.52
Rot. Bonds4

About N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide

N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide (PubChem CID 90554912) has the molecular formula C10H16F3NO3S and a molecular weight of 287.30 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide
PubChem CID90554912
Molecular FormulaC10H16F3NO3S
Molecular Weight287.30 g/mol
Exact Mass287.08
IUPAC NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide
SMILESO=S(=O)(C1CC1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C10H16F3NO3S/c11-10(12,13)7-14(8-3-5-17-6-4-8)18(15,16)9-1-2-9/h8-9H,1-7H2
InChIKeyHDKXFKSYXBYRLV-UHFFFAOYSA-N
XLogP1.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 90554867
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 90554881
N-(oxan-4-yl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide
CID 91939249
3,4-dimethyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90554887
N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90554922
2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90554910
N-cyclopropyl-N-(piperidin-2-ylmethyl)oxane-4-sulfonamide
CID 106630051
2-[oxepan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266351
N-(dimethylsulfamoyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43602828
N-(oxan-4-yl)-4-phenyl-N-(2,2,2-trifluoroethyl)benzamide
CID 90554748
2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55011179
N-ethyl-N-piperidin-3-yloxane-4-sulfonamide
CID 55031572

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide?
The IUPAC name of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide (CID 90554912) is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide.
What is the SMILES notation for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide?
The canonical SMILES for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide is O=S(=O)(C1CC1)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide?
The InChIKey is HDKXFKSYXBYRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3S/c11-10(12,13)7-14(8-3-5-17-6-4-8)18(15,16)9-1-2-9/h8-9H,1-7H2.
What are the key properties of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide?
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide has a molecular weight of 287.30 g/mol, XLogP of 1.52, 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)cyclopropanesulfonamide is sourced from PubChem (CID 90554912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).