(3S)-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-sulfonamide

C13H23F3N2O3S — CID 124738712

IUPAC(3S)-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-sulfonamide
SMILESC[C@H](NS(=O)(=O)[C@H]1CCOC1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O3S/c1-10(17-22(19,20)12-4-7-21-8-12)11-2-5-18(6-3-11)9-13(14,15)16/h10-12,17H,2-9H2,1H3/t10-,12-/m0/s1
InChIKeyRNSNODQIYURAHS-JQWIXIFHSA-N
MW344.40 g/mol
LogP1.36
Rot. Bonds5

About (3S)-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-sulfonamide

(3S)-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-sulfonamide (PubChem CID 124738712) has the molecular formula C13H23F3N2O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is (3S)-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-sulfonamide.

Molecular Properties

Compound Name(3S)-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-sulfonamide
PubChem CID124738712
Molecular FormulaC13H23F3N2O3S
Molecular Weight344.40 g/mol
Exact Mass344.14
IUPAC Name(3S)-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-sulfonamide
SMILESC[C@H](NS(=O)(=O)[C@H]1CCOC1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O3S/c1-10(17-22(19,20)12-4-7-21-8-12)11-2-5-18(6-3-11)9-13(14,15)16/h10-12,17H,2-9H2,1H3/t10-,12-/m0/s1
InChIKeyRNSNODQIYURAHS-JQWIXIFHSA-N
XLogP1.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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 (3S)-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-sulfonamide?
The IUPAC name of (3S)-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-sulfonamide (CID 124738712) is (3S)-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-sulfonamide.
What is the SMILES notation for (3S)-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-sulfonamide?
The canonical SMILES for (3S)-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-sulfonamide is C[C@H](NS(=O)(=O)[C@H]1CCOC1)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of (3S)-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-sulfonamide?
The InChIKey is RNSNODQIYURAHS-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H23F3N2O3S/c1-10(17-22(19,20)12-4-7-21-8-12)11-2-5-18(6-3-11)9-13(14,15)16/h10-12,17H,2-9H2,1H3/t10-,12-/m0/s1.
What are the key properties of (3S)-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-sulfonamide?
(3S)-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-sulfonamide has a molecular weight of 344.40 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-sulfonamide is sourced from PubChem (CID 124738712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).