N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiophene-2-carboxamide

C12H19NO2S2 — CID 71787270

IUPACN-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiophene-2-carboxamide
SMILESCSCCC(C)(O)CNC(=O)c1cc(C)cs1
InChIInChI=1S/C12H19NO2S2/c1-9-6-10(17-7-9)11(14)13-8-12(2,15)4-5-16-3/h6-7,15H,4-5,8H2,1-3H3,(H,13,14)
InChIKeyHKQQTGCOAFGYOY-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.29
Rot. Bonds6

About N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiophene-2-carboxamide

N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiophene-2-carboxamide (PubChem CID 71787270) has the molecular formula C12H19NO2S2 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiophene-2-carboxamide
PubChem CID71787270
Molecular FormulaC12H19NO2S2
Molecular Weight273.42 g/mol
Exact Mass273.09
IUPAC NameN-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiophene-2-carboxamide
SMILESCSCCC(C)(O)CNC(=O)c1cc(C)cs1
InChIInChI=1S/C12H19NO2S2/c1-9-6-10(17-7-9)11(14)13-8-12(2,15)4-5-16-3/h6-7,15H,4-5,8H2,1-3H3,(H,13,14)
InChIKeyHKQQTGCOAFGYOY-UHFFFAOYSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiophene-2-carboxamide (CID 71787270) is N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiophene-2-carboxamide is CSCCC(C)(O)CNC(=O)c1cc(C)cs1.
What is the InChIKey of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiophene-2-carboxamide?
The InChIKey is HKQQTGCOAFGYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S2/c1-9-6-10(17-7-9)11(14)13-8-12(2,15)4-5-16-3/h6-7,15H,4-5,8H2,1-3H3,(H,13,14).
What are the key properties of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiophene-2-carboxamide?
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiophene-2-carboxamide has a molecular weight of 273.42 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 71787270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).