(3R)-1-(cyclopentanecarbonyl)-N-[(3-fluoro-2-pyridinyl)methyl]piperidine-3-sulfonamide

C17H24FN3O3S — CID 97348660

IUPAC(3R)-1-(cyclopentanecarbonyl)-N-[(3-fluoro-2-pyridinyl)methyl]piperidine-3-sulfonamide
SMILESO=C(C1CCCC1)N1CCC[C@@H](S(=O)(=O)NCc2ncccc2F)C1
InChIInChI=1S/C17H24FN3O3S/c18-15-8-3-9-19-16(15)11-20-25(23,24)14-7-4-10-21(12-14)17(22)13-5-1-2-6-13/h3,8-9,13-14,20H,1-2,4-7,10-12H2/t14-/m1/s1
InChIKeyRXQQLNXWVGOSKB-CQSZACIVSA-N
MW369.46 g/mol
LogP1.82
Rot. Bonds5

About (3R)-1-(cyclopentanecarbonyl)-N-[(3-fluoro-2-pyridinyl)methyl]piperidine-3-sulfonamide

(3R)-1-(cyclopentanecarbonyl)-N-[(3-fluoro-2-pyridinyl)methyl]piperidine-3-sulfonamide (PubChem CID 97348660) has the molecular formula C17H24FN3O3S and a molecular weight of 369.46 g/mol. Its IUPAC name is (3R)-1-(cyclopentanecarbonyl)-N-[(3-fluoro-2-pyridinyl)methyl]piperidine-3-sulfonamide.

Molecular Properties

Compound Name(3R)-1-(cyclopentanecarbonyl)-N-[(3-fluoro-2-pyridinyl)methyl]piperidine-3-sulfonamide
PubChem CID97348660
Molecular FormulaC17H24FN3O3S
Molecular Weight369.46 g/mol
Exact Mass369.15
IUPAC Name(3R)-1-(cyclopentanecarbonyl)-N-[(3-fluoro-2-pyridinyl)methyl]piperidine-3-sulfonamide
SMILESO=C(C1CCCC1)N1CCC[C@@H](S(=O)(=O)NCc2ncccc2F)C1
InChIInChI=1S/C17H24FN3O3S/c18-15-8-3-9-19-16(15)11-20-25(23,24)14-7-4-10-21(12-14)17(22)13-5-1-2-6-13/h3,8-9,13-14,20H,1-2,4-7,10-12H2/t14-/m1/s1
InChIKeyRXQQLNXWVGOSKB-CQSZACIVSA-N
XLogP1.82
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(cyclopentanecarbonyl)-N-[(3-fluoro-2-pyridinyl)methyl]piperidine-3-sulfonamide with MolForge

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Related Compounds

(3S)-1-(cyclopentanecarbonyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide
CID 97348373
cyclopentyl-[3-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-ylsulfonyl)piperidin-1-yl]methanone
CID 75476293
(3R)-1-(cyclopentanecarbonyl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-sulfonamide
CID 97348626
(3S)-1-benzoyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-sulfonamide
CID 97344312
3-[[[1-(cyclopentanecarbonyl)azetidin-3-yl]sulfonylamino]methyl]benzoic acid
CID 136533017
(3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-sulfonamide
CID 97348237
3-(cyclopentylsulfamoyl)-N-(2,6-difluorophenyl)piperidine-1-carboxamide
CID 75476010
1-(cyclopentanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-sulfonamide;hydrochloride
CID 120875867
(3S)-N-cyclopentyl-1-(pyridine-2-carbonyl)piperidine-3-sulfonamide
CID 97348588
2-[[[1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660428
1-(cyclopentanecarbonyl)piperidine-3-sulfonyl chloride
CID 75480497
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 111565698

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclopentanecarbonyl)-N-[(3-fluoro-2-pyridinyl)methyl]piperidine-3-sulfonamide?
The IUPAC name of (3R)-1-(cyclopentanecarbonyl)-N-[(3-fluoro-2-pyridinyl)methyl]piperidine-3-sulfonamide (CID 97348660) is (3R)-1-(cyclopentanecarbonyl)-N-[(3-fluoro-2-pyridinyl)methyl]piperidine-3-sulfonamide.
What is the SMILES notation for (3R)-1-(cyclopentanecarbonyl)-N-[(3-fluoro-2-pyridinyl)methyl]piperidine-3-sulfonamide?
The canonical SMILES for (3R)-1-(cyclopentanecarbonyl)-N-[(3-fluoro-2-pyridinyl)methyl]piperidine-3-sulfonamide is O=C(C1CCCC1)N1CCC[C@@H](S(=O)(=O)NCc2ncccc2F)C1.
What is the InChIKey of (3R)-1-(cyclopentanecarbonyl)-N-[(3-fluoro-2-pyridinyl)methyl]piperidine-3-sulfonamide?
The InChIKey is RXQQLNXWVGOSKB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24FN3O3S/c18-15-8-3-9-19-16(15)11-20-25(23,24)14-7-4-10-21(12-14)17(22)13-5-1-2-6-13/h3,8-9,13-14,20H,1-2,4-7,10-12H2/t14-/m1/s1.
What are the key properties of (3R)-1-(cyclopentanecarbonyl)-N-[(3-fluoro-2-pyridinyl)methyl]piperidine-3-sulfonamide?
(3R)-1-(cyclopentanecarbonyl)-N-[(3-fluoro-2-pyridinyl)methyl]piperidine-3-sulfonamide has a molecular weight of 369.46 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclopentanecarbonyl)-N-[(3-fluoro-2-pyridinyl)methyl]piperidine-3-sulfonamide is sourced from PubChem (CID 97348660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).