(3R)-N'-(2-fluorobenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide

C17H18FN3O4S2 — CID 9084777

IUPAC(3R)-N'-(2-fluorobenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccccc1F
InChIInChI=1S/C17H18FN3O4S2/c18-14-7-2-1-6-13(14)17(23)20-19-16(22)12-5-3-9-21(11-12)27(24,25)15-8-4-10-26-15/h1-2,4,6-8,10,12H,3,5,9,11H2,(H,19,22)(H,20,23)/t12-/m1/s1
InChIKeyTUIAZXKTLDRBCF-GFCCVEGCSA-N
MW411.48 g/mol
LogP1.75
Rot. Bonds4

About (3R)-N'-(2-fluorobenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide

(3R)-N'-(2-fluorobenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide (PubChem CID 9084777) has the molecular formula C17H18FN3O4S2 and a molecular weight of 411.48 g/mol. Its IUPAC name is (3R)-N'-(2-fluorobenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide.

Molecular Properties

Compound Name(3R)-N'-(2-fluorobenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide
PubChem CID9084777
Molecular FormulaC17H18FN3O4S2
Molecular Weight411.48 g/mol
Exact Mass411.07
IUPAC Name(3R)-N'-(2-fluorobenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccccc1F
InChIInChI=1S/C17H18FN3O4S2/c18-14-7-2-1-6-13(14)17(23)20-19-16(22)12-5-3-9-21(11-12)27(24,25)15-8-4-10-26-15/h1-2,4,6-8,10,12H,3,5,9,11H2,(H,19,22)(H,20,23)/t12-/m1/s1
InChIKeyTUIAZXKTLDRBCF-GFCCVEGCSA-N
XLogP1.75
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-N'-(2,5-dimethylfuran-3-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 9084948
(3R)-N'-(4-methylbenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 9086805
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
(3S)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 31942892
N-cyclopropyl-2-oxo-2-[2-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)hydrazinyl]acetamide
CID 46628290
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
(3S)-N-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012522
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
(3R)-N-cyclohexyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012508
(3S)-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 31942883
(3R)-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 31942881

Frequently Asked Questions

What is the IUPAC name of (3R)-N'-(2-fluorobenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide?
The IUPAC name of (3R)-N'-(2-fluorobenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide (CID 9084777) is (3R)-N'-(2-fluorobenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide.
What is the SMILES notation for (3R)-N'-(2-fluorobenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide?
The canonical SMILES for (3R)-N'-(2-fluorobenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide is O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccccc1F.
What is the InChIKey of (3R)-N'-(2-fluorobenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide?
The InChIKey is TUIAZXKTLDRBCF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18FN3O4S2/c18-14-7-2-1-6-13(14)17(23)20-19-16(22)12-5-3-9-21(11-12)27(24,25)15-8-4-10-26-15/h1-2,4,6-8,10,12H,3,5,9,11H2,(H,19,22)(H,20,23)/t12-/m1/s1.
What are the key properties of (3R)-N'-(2-fluorobenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide?
(3R)-N'-(2-fluorobenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide has a molecular weight of 411.48 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N'-(2-fluorobenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide is sourced from PubChem (CID 9084777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).