3,3,3-trifluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]propane-1-sulfonamide

C13H23F3N2O3S — CID 122245333

IUPAC3,3,3-trifluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]propane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)F)NCC1CCN(C2CCOC2)CC1
InChIInChI=1S/C13H23F3N2O3S/c14-13(15,16)4-8-22(19,20)17-9-11-1-5-18(6-2-11)12-3-7-21-10-12/h11-12,17H,1-10H2
InChIKeyIHVWCSMEFZDSNO-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.36
Rot. Bonds6

About 3,3,3-trifluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]propane-1-sulfonamide

3,3,3-trifluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]propane-1-sulfonamide (PubChem CID 122245333) has the molecular formula C13H23F3N2O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]propane-1-sulfonamide
PubChem CID122245333
Molecular FormulaC13H23F3N2O3S
Molecular Weight344.40 g/mol
Exact Mass344.14
IUPAC Name3,3,3-trifluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]propane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)F)NCC1CCN(C2CCOC2)CC1
InChIInChI=1S/C13H23F3N2O3S/c14-13(15,16)4-8-22(19,20)17-9-11-1-5-18(6-2-11)12-3-7-21-10-12/h11-12,17H,1-10H2
InChIKeyIHVWCSMEFZDSNO-UHFFFAOYSA-N
XLogP1.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]propane-1-sulfonamide?
The IUPAC name of 3,3,3-trifluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]propane-1-sulfonamide (CID 122245333) is 3,3,3-trifluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for 3,3,3-trifluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]propane-1-sulfonamide is O=S(=O)(CCC(F)(F)F)NCC1CCN(C2CCOC2)CC1.
What is the InChIKey of 3,3,3-trifluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]propane-1-sulfonamide?
The InChIKey is IHVWCSMEFZDSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O3S/c14-13(15,16)4-8-22(19,20)17-9-11-1-5-18(6-2-11)12-3-7-21-10-12/h11-12,17H,1-10H2.
What are the key properties of 3,3,3-trifluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]propane-1-sulfonamide?
3,3,3-trifluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]propane-1-sulfonamide has a molecular weight of 344.40 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 122245333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).