2-propylsulfonylethyl 3-aminothiophene-2-carboxylate

C10H15NO4S2 — CID 106728784

IUPAC2-propylsulfonylethyl 3-aminothiophene-2-carboxylate
SMILESCCCS(=O)(=O)CCOC(=O)c1sccc1N
InChIInChI=1S/C10H15NO4S2/c1-2-6-17(13,14)7-4-15-10(12)9-8(11)3-5-16-9/h3,5H,2,4,6-7,11H2,1H3
InChIKeyWIVDNJHQBQBIQB-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.31
Rot. Bonds6

About 2-propylsulfonylethyl 3-aminothiophene-2-carboxylate

2-propylsulfonylethyl 3-aminothiophene-2-carboxylate (PubChem CID 106728784) has the molecular formula C10H15NO4S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-propylsulfonylethyl 3-aminothiophene-2-carboxylate.

Molecular Properties

Compound Name2-propylsulfonylethyl 3-aminothiophene-2-carboxylate
PubChem CID106728784
Molecular FormulaC10H15NO4S2
Molecular Weight277.37 g/mol
Exact Mass277.04
IUPAC Name2-propylsulfonylethyl 3-aminothiophene-2-carboxylate
SMILESCCCS(=O)(=O)CCOC(=O)c1sccc1N
InChIInChI=1S/C10H15NO4S2/c1-2-6-17(13,14)7-4-15-10(12)9-8(11)3-5-16-9/h3,5H,2,4,6-7,11H2,1H3
InChIKeyWIVDNJHQBQBIQB-UHFFFAOYSA-N
XLogP1.31
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 3-amino-2-thiophenecarboxylate
CID 89652
Thiophene-2-carboxylic acid, 3-(2-tert-butylsulfonyl-2-cyanoethenylamino)-, methyl ester
CID 2820262
Methyl 3-amino-5-(methylsulfanyl)-4-(propane-2-sulfonyl)thiophene-2-carboxylate
CID 2778659
Methyl 3-amino-4-(propylsulfonyl)thiophene-2-carboxylate
CID 2819500
Methyl 3-Amino-4-(isopropylsulfonyl)thiophene-2-carboxylate
CID 2778568
Methyl 3-(methoxycarbothioylamino)thiophene-2-carboxylate
CID 2808356
Methyl 3-(2,4-difluorophenylsulfonamido)thiophene-2-carboxylate
CID 2807719
Methyl 3-amino-4-(phenylsulfonyl)thiophene-2-carboxylate
CID 2778504
Methyl 3-[methyl(methylsulfonyl)amino]-2-thiophenecarboxylate
CID 586788
Methyl 3-amino-4-(tert-butylsulfonyl)thiophene-2-carboxylate
CID 2819475
Methyl 3-[(phenylsulfonyl)amino]thiophene-2-carboxylate
CID 4430392
Methyl 3-amino-4-(methylsulfonyl)thiophene-2-carboxylate
CID 2778572

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfonylethyl 3-aminothiophene-2-carboxylate?
The IUPAC name of 2-propylsulfonylethyl 3-aminothiophene-2-carboxylate (CID 106728784) is 2-propylsulfonylethyl 3-aminothiophene-2-carboxylate.
What is the SMILES notation for 2-propylsulfonylethyl 3-aminothiophene-2-carboxylate?
The canonical SMILES for 2-propylsulfonylethyl 3-aminothiophene-2-carboxylate is CCCS(=O)(=O)CCOC(=O)c1sccc1N.
What is the InChIKey of 2-propylsulfonylethyl 3-aminothiophene-2-carboxylate?
The InChIKey is WIVDNJHQBQBIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S2/c1-2-6-17(13,14)7-4-15-10(12)9-8(11)3-5-16-9/h3,5H,2,4,6-7,11H2,1H3.
What are the key properties of 2-propylsulfonylethyl 3-aminothiophene-2-carboxylate?
2-propylsulfonylethyl 3-aminothiophene-2-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfonylethyl 3-aminothiophene-2-carboxylate is sourced from PubChem (CID 106728784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).