5-[(1R)-1-(tert-butylsulfinylamino)ethyl]thiophene-2-carboxylic acid

C11H17NO3S2 — CID 67395550

IUPAC5-[(1R)-1-(tert-butylsulfinylamino)ethyl]thiophene-2-carboxylic acid
SMILESC[C@@H](NS(=O)C(C)(C)C)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H17NO3S2/c1-7(12-17(15)11(2,3)4)8-5-6-9(16-8)10(13)14/h5-7,12H,1-4H3,(H,13,14)/t7-,17?/m1/s1
InChIKeyICKRLFHQSBNIIP-UFEDUZHUSA-N
MW275.40 g/mol
LogP2.56
Rot. Bonds4

About 5-[(1R)-1-(tert-butylsulfinylamino)ethyl]thiophene-2-carboxylic acid

5-[(1R)-1-(tert-butylsulfinylamino)ethyl]thiophene-2-carboxylic acid (PubChem CID 67395550) has the molecular formula C11H17NO3S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-[(1R)-1-(tert-butylsulfinylamino)ethyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1R)-1-(tert-butylsulfinylamino)ethyl]thiophene-2-carboxylic acid
PubChem CID67395550
Molecular FormulaC11H17NO3S2
Molecular Weight275.40 g/mol
Exact Mass275.06
IUPAC Name5-[(1R)-1-(tert-butylsulfinylamino)ethyl]thiophene-2-carboxylic acid
SMILESC[C@@H](NS(=O)C(C)(C)C)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H17NO3S2/c1-7(12-17(15)11(2,3)4)8-5-6-9(16-8)10(13)14/h5-7,12H,1-4H3,(H,13,14)/t7-,17?/m1/s1
InChIKeyICKRLFHQSBNIIP-UFEDUZHUSA-N
XLogP2.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(tert-butylsulfinylamino)ethyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(1R)-1-(tert-butylsulfinylamino)ethyl]thiophene-2-carboxylic acid (CID 67395550) is 5-[(1R)-1-(tert-butylsulfinylamino)ethyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(1R)-1-(tert-butylsulfinylamino)ethyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(1R)-1-(tert-butylsulfinylamino)ethyl]thiophene-2-carboxylic acid is C[C@@H](NS(=O)C(C)(C)C)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(1R)-1-(tert-butylsulfinylamino)ethyl]thiophene-2-carboxylic acid?
The InChIKey is ICKRLFHQSBNIIP-UFEDUZHUSA-N. The full InChI is InChI=1S/C11H17NO3S2/c1-7(12-17(15)11(2,3)4)8-5-6-9(16-8)10(13)14/h5-7,12H,1-4H3,(H,13,14)/t7-,17?/m1/s1.
What are the key properties of 5-[(1R)-1-(tert-butylsulfinylamino)ethyl]thiophene-2-carboxylic acid?
5-[(1R)-1-(tert-butylsulfinylamino)ethyl]thiophene-2-carboxylic acid has a molecular weight of 275.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(tert-butylsulfinylamino)ethyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 67395550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).