N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)piperidine-3-carbohydrazide

C13H19N3O4S2 — CID 91170512

IUPACN-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)piperidine-3-carbohydrazide
SMILESCS(=O)(=O)N(N)C(=O)C1CCCN(CC(=O)c2cccs2)C1
InChIInChI=1S/C13H19N3O4S2/c1-22(19,20)16(14)13(18)10-4-2-6-15(8-10)9-11(17)12-5-3-7-21-12/h3,5,7,10H,2,4,6,8-9,14H2,1H3
InChIKeyULVFGFSCEYBIDC-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.30
Rot. Bonds5

About N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)piperidine-3-carbohydrazide

N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)piperidine-3-carbohydrazide (PubChem CID 91170512) has the molecular formula C13H19N3O4S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)piperidine-3-carbohydrazide.

Molecular Properties

Compound NameN-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)piperidine-3-carbohydrazide
PubChem CID91170512
Molecular FormulaC13H19N3O4S2
Molecular Weight345.45 g/mol
Exact Mass345.08
IUPAC NameN-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)piperidine-3-carbohydrazide
SMILESCS(=O)(=O)N(N)C(=O)C1CCCN(CC(=O)c2cccs2)C1
InChIInChI=1S/C13H19N3O4S2/c1-22(19,20)16(14)13(18)10-4-2-6-15(8-10)9-11(17)12-5-3-7-21-12/h3,5,7,10H,2,4,6,8-9,14H2,1H3
InChIKeyULVFGFSCEYBIDC-UHFFFAOYSA-N
XLogP0.30
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-thiophen-2-ylethanone
CID 86325588
2-(4-hydroxy-3-methylpiperidin-1-yl)-1-thiophen-2-ylethanone
CID 114679282
2-(4-methylazepan-1-yl)-1-thiophen-2-ylethanone
CID 63622264
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-thiophen-2-ylethanone
CID 43228957
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-thiophen-2-ylethanone
CID 81198916
tert-butyl N-methyl-N-[(3R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-3-yl]carbamate
CID 97167013
5-methyl-N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide
CID 91528161
tert-butyl N-[[(3R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-3-yl]methyl]carbamate
CID 97174464
2-[3-(hydroxymethyl)azetidin-1-yl]-1-thiophen-2-ylethanone
CID 71650113
1-(2-oxo-2-thiophen-2-ylethyl)piperidine-2-carboxamide
CID 60680965
N-methyl-4-[[3-(thiophene-2-carbonyl)piperidin-1-yl]methyl]benzenesulfonamide
CID 56876296
2-(2-oxo-2-thiophen-2-ylethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863470

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)piperidine-3-carbohydrazide?
The IUPAC name of N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)piperidine-3-carbohydrazide (CID 91170512) is N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)piperidine-3-carbohydrazide.
What is the SMILES notation for N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)piperidine-3-carbohydrazide?
The canonical SMILES for N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)piperidine-3-carbohydrazide is CS(=O)(=O)N(N)C(=O)C1CCCN(CC(=O)c2cccs2)C1.
What is the InChIKey of N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)piperidine-3-carbohydrazide?
The InChIKey is ULVFGFSCEYBIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S2/c1-22(19,20)16(14)13(18)10-4-2-6-15(8-10)9-11(17)12-5-3-7-21-12/h3,5,7,10H,2,4,6,8-9,14H2,1H3.
What are the key properties of N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)piperidine-3-carbohydrazide?
N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)piperidine-3-carbohydrazide has a molecular weight of 345.45 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)piperidine-3-carbohydrazide is sourced from PubChem (CID 91170512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).