N-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide

C12H19FN4O2S — CID 72898120

IUPACN-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@@H]1CN(c2ncc(F)cn2)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C12H19FN4O2S/c1-3-4-9-7-17(8-11(9)16-20(2,18)19)12-14-5-10(13)6-15-12/h5-6,9,11,16H,3-4,7-8H2,1-2H3/t9-,11-/m1/s1
InChIKeyRLFIGBQVFYGZAZ-MWLCHTKSSA-N
MW302.38 g/mol
LogP0.77
Rot. Bonds5

About N-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide

N-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 72898120) has the molecular formula C12H19FN4O2S and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide
PubChem CID72898120
Molecular FormulaC12H19FN4O2S
Molecular Weight302.38 g/mol
Exact Mass302.12
IUPAC NameN-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@@H]1CN(c2ncc(F)cn2)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C12H19FN4O2S/c1-3-4-9-7-17(8-11(9)16-20(2,18)19)12-14-5-10(13)6-15-12/h5-6,9,11,16H,3-4,7-8H2,1-2H3/t9-,11-/m1/s1
InChIKeyRLFIGBQVFYGZAZ-MWLCHTKSSA-N
XLogP0.77
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide (CID 72898120) is N-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide is CCC[C@@H]1CN(c2ncc(F)cn2)C[C@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is RLFIGBQVFYGZAZ-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H19FN4O2S/c1-3-4-9-7-17(8-11(9)16-20(2,18)19)12-14-5-10(13)6-15-12/h5-6,9,11,16H,3-4,7-8H2,1-2H3/t9-,11-/m1/s1.
What are the key properties of N-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
N-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 302.38 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 72898120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).