N-[(3R,4S)-1-(3-fluoro-2-pyridinyl)-4-propylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide

C15H23FN4O3S — CID 72902143

IUPACN-[(3R,4S)-1-(3-fluoro-2-pyridinyl)-4-propylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide
SMILESCCC[C@H]1CN(c2ncccc2F)C[C@@H]1NC(=O)CNS(C)(=O)=O
InChIInChI=1S/C15H23FN4O3S/c1-3-5-11-9-20(15-12(16)6-4-7-17-15)10-13(11)19-14(21)8-18-24(2,22)23/h4,6-7,11,13,18H,3,5,8-10H2,1-2H3,(H,19,21)/t11-,13-/m0/s1
InChIKeyAKDIPHRHPDMSHC-AAEUAGOBSA-N
MW358.44 g/mol
LogP0.49
Rot. Bonds7

About N-[(3R,4S)-1-(3-fluoro-2-pyridinyl)-4-propylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide

N-[(3R,4S)-1-(3-fluoro-2-pyridinyl)-4-propylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide (PubChem CID 72902143) has the molecular formula C15H23FN4O3S and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(3R,4S)-1-(3-fluoro-2-pyridinyl)-4-propylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(3-fluoro-2-pyridinyl)-4-propylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide
PubChem CID72902143
Molecular FormulaC15H23FN4O3S
Molecular Weight358.44 g/mol
Exact Mass358.15
IUPAC NameN-[(3R,4S)-1-(3-fluoro-2-pyridinyl)-4-propylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide
SMILESCCC[C@H]1CN(c2ncccc2F)C[C@@H]1NC(=O)CNS(C)(=O)=O
InChIInChI=1S/C15H23FN4O3S/c1-3-5-11-9-20(15-12(16)6-4-7-17-15)10-13(11)19-14(21)8-18-24(2,22)23/h4,6-7,11,13,18H,3,5,8-10H2,1-2H3,(H,19,21)/t11-,13-/m0/s1
InChIKeyAKDIPHRHPDMSHC-AAEUAGOBSA-N
XLogP0.49
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(3-fluoro-2-pyridinyl)-4-propylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide?
The IUPAC name of N-[(3R,4S)-1-(3-fluoro-2-pyridinyl)-4-propylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide (CID 72902143) is N-[(3R,4S)-1-(3-fluoro-2-pyridinyl)-4-propylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide.
What is the SMILES notation for N-[(3R,4S)-1-(3-fluoro-2-pyridinyl)-4-propylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide?
The canonical SMILES for N-[(3R,4S)-1-(3-fluoro-2-pyridinyl)-4-propylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide is CCC[C@H]1CN(c2ncccc2F)C[C@@H]1NC(=O)CNS(C)(=O)=O.
What is the InChIKey of N-[(3R,4S)-1-(3-fluoro-2-pyridinyl)-4-propylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide?
The InChIKey is AKDIPHRHPDMSHC-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H23FN4O3S/c1-3-5-11-9-20(15-12(16)6-4-7-17-15)10-13(11)19-14(21)8-18-24(2,22)23/h4,6-7,11,13,18H,3,5,8-10H2,1-2H3,(H,19,21)/t11-,13-/m0/s1.
What are the key properties of N-[(3R,4S)-1-(3-fluoro-2-pyridinyl)-4-propylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide?
N-[(3R,4S)-1-(3-fluoro-2-pyridinyl)-4-propylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide has a molecular weight of 358.44 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(3-fluoro-2-pyridinyl)-4-propylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide is sourced from PubChem (CID 72902143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).