N-cyclopropyl-2-oxo-2-[2-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)hydrazinyl]acetamide

C15H20N4O5S2 — CID 46628290

IUPACN-cyclopropyl-2-oxo-2-[2-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)hydrazinyl]acetamide
SMILESO=C(NNC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)C(=O)NC1CC1
InChIInChI=1S/C15H20N4O5S2/c20-13(17-18-15(22)14(21)16-11-5-6-11)10-3-1-7-19(9-10)26(23,24)12-4-2-8-25-12/h2,4,8,10-11H,1,3,5-7,9H2,(H,16,21)(H,17,20)(H,18,22)
InChIKeyHEHUSSJZRPKHOD-UHFFFAOYSA-N
MW400.48 g/mol
LogP-0.43
Rot. Bonds4

About N-cyclopropyl-2-oxo-2-[2-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)hydrazinyl]acetamide

N-cyclopropyl-2-oxo-2-[2-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)hydrazinyl]acetamide (PubChem CID 46628290) has the molecular formula C15H20N4O5S2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-cyclopropyl-2-oxo-2-[2-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)hydrazinyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-oxo-2-[2-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)hydrazinyl]acetamide
PubChem CID46628290
Molecular FormulaC15H20N4O5S2
Molecular Weight400.48 g/mol
Exact Mass400.09
IUPAC NameN-cyclopropyl-2-oxo-2-[2-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)hydrazinyl]acetamide
SMILESO=C(NNC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)C(=O)NC1CC1
InChIInChI=1S/C15H20N4O5S2/c20-13(17-18-15(22)14(21)16-11-5-6-11)10-3-1-7-19(9-10)26(23,24)12-4-2-8-25-12/h2,4,8,10-11H,1,3,5-7,9H2,(H,16,21)(H,17,20)(H,18,22)
InChIKeyHEHUSSJZRPKHOD-UHFFFAOYSA-N
XLogP-0.43
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-cyclohexyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012508
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
(3R)-N'-(4-methylbenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 9086805
(3R)-N'-(2-fluorobenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 9084777
(3R)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802331
N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51228957
N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826163
(3R)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9143984
(3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94019515

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-oxo-2-[2-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)hydrazinyl]acetamide?
The IUPAC name of N-cyclopropyl-2-oxo-2-[2-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)hydrazinyl]acetamide (CID 46628290) is N-cyclopropyl-2-oxo-2-[2-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)hydrazinyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-oxo-2-[2-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)hydrazinyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-oxo-2-[2-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)hydrazinyl]acetamide is O=C(NNC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-oxo-2-[2-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)hydrazinyl]acetamide?
The InChIKey is HEHUSSJZRPKHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5S2/c20-13(17-18-15(22)14(21)16-11-5-6-11)10-3-1-7-19(9-10)26(23,24)12-4-2-8-25-12/h2,4,8,10-11H,1,3,5-7,9H2,(H,16,21)(H,17,20)(H,18,22).
What are the key properties of N-cyclopropyl-2-oxo-2-[2-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)hydrazinyl]acetamide?
N-cyclopropyl-2-oxo-2-[2-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)hydrazinyl]acetamide has a molecular weight of 400.48 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-oxo-2-[2-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)hydrazinyl]acetamide is sourced from PubChem (CID 46628290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).