N-[(3R,4R)-4-hydroxy-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanesulfonamide

C8H15F3N2O3S — CID 110133163

IUPACN-[(3R,4R)-4-hydroxy-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CN(CCC(F)(F)F)C[C@H]1O
InChIInChI=1S/C8H15F3N2O3S/c1-17(15,16)12-6-4-13(5-7(6)14)3-2-8(9,10)11/h6-7,12,14H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyUIOJPBIDNAMREM-RNFRBKRXSA-N
MW276.28 g/mol
LogP-0.47
Rot. Bonds4

About N-[(3R,4R)-4-hydroxy-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanesulfonamide

N-[(3R,4R)-4-hydroxy-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 110133163) has the molecular formula C8H15F3N2O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxy-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxy-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID110133163
Molecular FormulaC8H15F3N2O3S
Molecular Weight276.28 g/mol
Exact Mass276.08
IUPAC NameN-[(3R,4R)-4-hydroxy-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CN(CCC(F)(F)F)C[C@H]1O
InChIInChI=1S/C8H15F3N2O3S/c1-17(15,16)12-6-4-13(5-7(6)14)3-2-8(9,10)11/h6-7,12,14H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyUIOJPBIDNAMREM-RNFRBKRXSA-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-[(3R,4R)-4-hydroxy-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4R)-4-hydroxy-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanesulfonamide (CID 110133163) is N-[(3R,4R)-4-hydroxy-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxy-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxy-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@@H]1CN(CCC(F)(F)F)C[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxy-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is UIOJPBIDNAMREM-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H15F3N2O3S/c1-17(15,16)12-6-4-13(5-7(6)14)3-2-8(9,10)11/h6-7,12,14H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxy-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanesulfonamide?
N-[(3R,4R)-4-hydroxy-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]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-[(3R,4R)-4-hydroxy-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 110133163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).