N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiophene-2-carboxamide

C12H19NO2S2 — CID 95984279

IUPACN-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiophene-2-carboxamide
SMILESCSCC[C@](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)/t12-/m0/s1
InChIKeyHKQQTGCOAFGYOY-LBPRGKRZSA-N
MW273.42 g/mol
LogP2.29
Rot. Bonds6

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

N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiophene-2-carboxamide (PubChem CID 95984279) has the molecular formula C12H19NO2S2 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiophene-2-carboxamide
PubChem CID95984279
Molecular FormulaC12H19NO2S2
Molecular Weight273.42 g/mol
Exact Mass273.09
IUPAC NameN-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiophene-2-carboxamide
SMILESCSCC[C@](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)/t12-/m0/s1
InChIKeyHKQQTGCOAFGYOY-LBPRGKRZSA-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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Related Compounds

4-bromo-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]thiophene-2-carboxamide
CID 99695648
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,5-dimethylfuran-3-carboxamide
CID 71787269
N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 95984269
2-chloro-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide
CID 95984298
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methylthiophene-2-carboxamide
CID 95983247
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-benzofuran-2-carboxamide
CID 71787283
1-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea
CID 95984553
3-chloro-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)benzamide
CID 71787281
3-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide
CID 95984312
N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-1,3-benzothiazole-2-carboxamide
CID 95984337
1-ethyl-3-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)urea
CID 71787402
N'-(3-fluoro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]oxamide
CID 95984495

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiophene-2-carboxamide (CID 95984279) is N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiophene-2-carboxamide is CSCC[C@](C)(O)CNC(=O)c1cc(C)cs1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiophene-2-carboxamide?
The InChIKey is HKQQTGCOAFGYOY-LBPRGKRZSA-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)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiophene-2-carboxamide?
N-[(2S)-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-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 95984279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).