N-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pentane-1-sulfonamide

C14H22FN3O2S — CID 97306329

IUPACN-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)N[C@H]1CCN(c2ncccc2F)C1
InChIInChI=1S/C14H22FN3O2S/c1-2-3-4-10-21(19,20)17-12-7-9-18(11-12)14-13(15)6-5-8-16-14/h5-6,8,12,17H,2-4,7,9-11H2,1H3/t12-/m0/s1
InChIKeyLVPIQTJFEZMADJ-LBPRGKRZSA-N
MW315.41 g/mol
LogP1.91
Rot. Bonds7

About N-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pentane-1-sulfonamide

N-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pentane-1-sulfonamide (PubChem CID 97306329) has the molecular formula C14H22FN3O2S and a molecular weight of 315.41 g/mol. Its IUPAC name is N-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pentane-1-sulfonamide
PubChem CID97306329
Molecular FormulaC14H22FN3O2S
Molecular Weight315.41 g/mol
Exact Mass315.14
IUPAC NameN-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)N[C@H]1CCN(c2ncccc2F)C1
InChIInChI=1S/C14H22FN3O2S/c1-2-3-4-10-21(19,20)17-12-7-9-18(11-12)14-13(15)6-5-8-16-14/h5-6,8,12,17H,2-4,7,9-11H2,1H3/t12-/m0/s1
InChIKeyLVPIQTJFEZMADJ-LBPRGKRZSA-N
XLogP1.91
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pentane-1-sulfonamide
CID 75477779
2-(3-ethoxycyclobutyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]acetamide
CID 126776040
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide
CID 90597476
N-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]ethanamine
CID 55111529
2-(3-bromopyrrolidin-1-yl)-3-fluoropyridine
CID 80666888
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 133491003
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide
CID 119051968
(3R)-1-(3-fluoro-2-pyridinyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrrolidin-3-amine
CID 97233255
2-(3-chloro-4-methylpiperidin-1-yl)-3-fluoropyridine
CID 102960811
N-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357585
N-(2-fluorophenyl)-3-(propylsulfonylamino)pyrrolidine-1-carboxamide
CID 51108800
2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 71921906

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pentane-1-sulfonamide?
The IUPAC name of N-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pentane-1-sulfonamide (CID 97306329) is N-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pentane-1-sulfonamide.
What is the SMILES notation for N-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pentane-1-sulfonamide?
The canonical SMILES for N-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pentane-1-sulfonamide is CCCCCS(=O)(=O)N[C@H]1CCN(c2ncccc2F)C1.
What is the InChIKey of N-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pentane-1-sulfonamide?
The InChIKey is LVPIQTJFEZMADJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22FN3O2S/c1-2-3-4-10-21(19,20)17-12-7-9-18(11-12)14-13(15)6-5-8-16-14/h5-6,8,12,17H,2-4,7,9-11H2,1H3/t12-/m0/s1.
What are the key properties of N-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pentane-1-sulfonamide?
N-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pentane-1-sulfonamide has a molecular weight of 315.41 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pentane-1-sulfonamide is sourced from PubChem (CID 97306329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).