2-tert-butylsulfonylethyl 3-aminothiophene-2-carboxylate

C11H17NO4S2 — CID 106728783

IUPAC2-tert-butylsulfonylethyl 3-aminothiophene-2-carboxylate
SMILESCC(C)(C)S(=O)(=O)CCOC(=O)c1sccc1N
InChIInChI=1S/C11H17NO4S2/c1-11(2,3)18(14,15)7-5-16-10(13)9-8(12)4-6-17-9/h4,6H,5,7,12H2,1-3H3
InChIKeyIOTQWAZCDXETQI-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.70
Rot. Bonds4

About 2-tert-butylsulfonylethyl 3-aminothiophene-2-carboxylate

2-tert-butylsulfonylethyl 3-aminothiophene-2-carboxylate (PubChem CID 106728783) has the molecular formula C11H17NO4S2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-tert-butylsulfonylethyl 3-aminothiophene-2-carboxylate.

Molecular Properties

Compound Name2-tert-butylsulfonylethyl 3-aminothiophene-2-carboxylate
PubChem CID106728783
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC Name2-tert-butylsulfonylethyl 3-aminothiophene-2-carboxylate
SMILESCC(C)(C)S(=O)(=O)CCOC(=O)c1sccc1N
InChIInChI=1S/C11H17NO4S2/c1-11(2,3)18(14,15)7-5-16-10(13)9-8(12)4-6-17-9/h4,6H,5,7,12H2,1-3H3
InChIKeyIOTQWAZCDXETQI-UHFFFAOYSA-N
XLogP1.70
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-propylsulfonylethyl 3-aminothiophene-2-carboxylate
CID 106728784
(3-amino-3-oxopropyl) 3-aminothiophene-2-carboxylate
CID 61316606
2-cyclohexylethyl 3-aminothiophene-2-carboxylate
CID 114192372
2-tert-butylsulfonylethyl 4-amino-3-fluorobenzoate
CID 106728822
2-tert-butylsulfonylethyl 3-amino-4-bromobenzoate
CID 106728669
2-tert-butylsulfonylethyl 2-amino-5-fluorobenzoate
CID 106728776
2-(4-methoxyphenyl)ethyl 3-aminothiophene-2-carboxylate
CID 65446877
propyl 3-chlorosulfonylthiophene-2-carboxylate
CID 22417293
[2-oxo-2-(propan-2-ylamino)ethyl] 3-aminothiophene-2-carboxylate
CID 61316599
2-pyridin-3-ylethyl 3-aminothiophene-2-carboxylate
CID 63263035
[2-(carbamoylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
CID 61316598
[2-(cyanomethylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
CID 61316603

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonylethyl 3-aminothiophene-2-carboxylate?
The IUPAC name of 2-tert-butylsulfonylethyl 3-aminothiophene-2-carboxylate (CID 106728783) is 2-tert-butylsulfonylethyl 3-aminothiophene-2-carboxylate.
What is the SMILES notation for 2-tert-butylsulfonylethyl 3-aminothiophene-2-carboxylate?
The canonical SMILES for 2-tert-butylsulfonylethyl 3-aminothiophene-2-carboxylate is CC(C)(C)S(=O)(=O)CCOC(=O)c1sccc1N.
What is the InChIKey of 2-tert-butylsulfonylethyl 3-aminothiophene-2-carboxylate?
The InChIKey is IOTQWAZCDXETQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-11(2,3)18(14,15)7-5-16-10(13)9-8(12)4-6-17-9/h4,6H,5,7,12H2,1-3H3.
What are the key properties of 2-tert-butylsulfonylethyl 3-aminothiophene-2-carboxylate?
2-tert-butylsulfonylethyl 3-aminothiophene-2-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonylethyl 3-aminothiophene-2-carboxylate is sourced from PubChem (CID 106728783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).