methyl 4-propylsulfonyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]thiophene-2-carboxylate

C14H16N2O4S3 — CID 2819711

IUPACmethyl 4-propylsulfonyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]thiophene-2-carboxylate
SMILESCCCS(=O)(=O)c1csc(C(=O)OC)c1NN=Cc1cccs1
InChIInChI=1S/C14H16N2O4S3/c1-3-7-23(18,19)11-9-22-13(14(17)20-2)12(11)16-15-8-10-5-4-6-21-10/h4-6,8-9,16H,3,7H2,1-2H3
InChIKeyMWIRZRNCOIXION-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.23
Rot. Bonds7

About methyl 4-propylsulfonyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]thiophene-2-carboxylate

methyl 4-propylsulfonyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]thiophene-2-carboxylate (PubChem CID 2819711) has the molecular formula C14H16N2O4S3 and a molecular weight of 372.49 g/mol. Its IUPAC name is methyl 4-propylsulfonyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-propylsulfonyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]thiophene-2-carboxylate
PubChem CID2819711
Molecular FormulaC14H16N2O4S3
Molecular Weight372.49 g/mol
Exact Mass372.03
IUPAC Namemethyl 4-propylsulfonyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]thiophene-2-carboxylate
SMILESCCCS(=O)(=O)c1csc(C(=O)OC)c1NN=Cc1cccs1
InChIInChI=1S/C14H16N2O4S3/c1-3-7-23(18,19)11-9-22-13(14(17)20-2)12(11)16-15-8-10-5-4-6-21-10/h4-6,8-9,16H,3,7H2,1-2H3
InChIKeyMWIRZRNCOIXION-UHFFFAOYSA-N
XLogP3.23
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[2-(2-chlorobenzoyl)hydrazinyl]-4-propylsulfonylthiophene-2-carboxylate
CID 2819715
methyl 3-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-4-propan-2-ylsulfonylthiophene-2-carboxylate
CID 2819643
methyl 3-[(2E)-2-[(4-chlorophenyl)sulfonyl-cyanomethylidene]hydrazinyl]-4-(thiophen-2-ylmethylsulfonyl)thiophene-2-carboxylate
CID 6374700
2-(4-methoxyanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5427947
N-(thiophen-2-ylmethylideneamino)octadecanamide
CID 75087356
N-[(E)-thiophen-2-ylmethylideneamino]octanamide
CID 6894116
N-(thiophen-2-ylmethylideneamino)undecanamide
CID 2164157
2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline
CID 6260448
tert-butyl N-[(Z)-thiophen-2-ylmethylideneamino]carbamate
CID 5399730
4-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 5407738
methyl 4-[[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]acetyl]amino]benzoate
CID 133240887
methyl 4-cyano-3-[(2E)-2-[cyano(thiophen-2-ylsulfonyl)methylidene]hydrazinyl]thiophene-2-carboxylate
CID 6376145

Frequently Asked Questions

What is the IUPAC name of methyl 4-propylsulfonyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-propylsulfonyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]thiophene-2-carboxylate (CID 2819711) is methyl 4-propylsulfonyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-propylsulfonyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-propylsulfonyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]thiophene-2-carboxylate is CCCS(=O)(=O)c1csc(C(=O)OC)c1NN=Cc1cccs1.
What is the InChIKey of methyl 4-propylsulfonyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]thiophene-2-carboxylate?
The InChIKey is MWIRZRNCOIXION-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S3/c1-3-7-23(18,19)11-9-22-13(14(17)20-2)12(11)16-15-8-10-5-4-6-21-10/h4-6,8-9,16H,3,7H2,1-2H3.
What are the key properties of methyl 4-propylsulfonyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]thiophene-2-carboxylate?
methyl 4-propylsulfonyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]thiophene-2-carboxylate has a molecular weight of 372.49 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-propylsulfonyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]thiophene-2-carboxylate is sourced from PubChem (CID 2819711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).