N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide

C8H15F3N2O3S — CID 136511710

IUPACN-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O3S/c1-17(15,16)12-3-5-13-4-2-7(14,6-13)8(9,10)11/h12,14H,2-6H2,1H3
InChIKeyTWIXBGNJWDWXME-UHFFFAOYSA-N
MW276.28 g/mol
LogP-0.47
Rot. Bonds4

About N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide

N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide (PubChem CID 136511710) has the molecular formula C8H15F3N2O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
PubChem CID136511710
Molecular FormulaC8H15F3N2O3S
Molecular Weight276.28 g/mol
Exact Mass276.08
IUPAC NameN-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O3S/c1-17(15,16)12-3-5-13-4-2-7(14,6-13)8(9,10)11/h12,14H,2-6H2,1H3
InChIKeyTWIXBGNJWDWXME-UHFFFAOYSA-N
XLogP-0.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide (CID 136511710) is N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCN1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide?
The InChIKey is TWIXBGNJWDWXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3S/c1-17(15,16)12-3-5-13-4-2-7(14,6-13)8(9,10)11/h12,14H,2-6H2,1H3.
What are the key properties of N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide?
N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide has a molecular weight of 276.28 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 136511710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).