N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thieno[3,2-b]thiophene-5-carboxamide

C12H15NO2S3 — CID 113239558

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESCSCC(C)(O)CNC(=O)c1cc2sccc2s1
InChIInChI=1S/C12H15NO2S3/c1-12(15,7-16-2)6-13-11(14)10-5-9-8(18-10)3-4-17-9/h3-5,15H,6-7H2,1-2H3,(H,13,14)
InChIKeyGVFXRBIZIDXTSC-UHFFFAOYSA-N
MW301.46 g/mol
LogP2.81
Rot. Bonds5

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thieno[3,2-b]thiophene-5-carboxamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 113239558) has the molecular formula C12H15NO2S3 and a molecular weight of 301.46 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thieno[3,2-b]thiophene-5-carboxamide
PubChem CID113239558
Molecular FormulaC12H15NO2S3
Molecular Weight301.46 g/mol
Exact Mass301.03
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESCSCC(C)(O)CNC(=O)c1cc2sccc2s1
InChIInChI=1S/C12H15NO2S3/c1-12(15,7-16-2)6-13-11(14)10-5-9-8(18-10)3-4-17-9/h3-5,15H,6-7H2,1-2H3,(H,13,14)
InChIKeyGVFXRBIZIDXTSC-UHFFFAOYSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-dimethyl-2-oxobutyl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745874
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylthiophene-2-carboxamide
CID 114162956
2-ethyl-2-[(thieno[3,2-b]thiophene-5-carbonylamino)methyl]butanoic acid
CID 115429647
N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 30772849
4-bromo-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]thiophene-2-carboxamide
CID 99695648
3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 106244209
N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide
CID 112732738
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-propyl-1,3-thiazole-5-carboxamide
CID 111463024
N-(1-amino-2-methylpropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80744721
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-3-carboxamide
CID 90522939
N-(2-bromo-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide
CID 114168829

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thieno[3,2-b]thiophene-5-carboxamide (CID 113239558) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thieno[3,2-b]thiophene-5-carboxamide is CSCC(C)(O)CNC(=O)c1cc2sccc2s1.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is GVFXRBIZIDXTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S3/c1-12(15,7-16-2)6-13-11(14)10-5-9-8(18-10)3-4-17-9/h3-5,15H,6-7H2,1-2H3,(H,13,14).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thieno[3,2-b]thiophene-5-carboxamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 301.46 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 113239558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).