N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylthiophene-2-carboxamide

C11H17NO2S2 — CID 71787174

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylthiophene-2-carboxamide
SMILESCSCC(C)(O)CNC(=O)c1cc(C)cs1
InChIInChI=1S/C11H17NO2S2/c1-8-4-9(16-5-8)10(13)12-6-11(2,14)7-15-3/h4-5,14H,6-7H2,1-3H3,(H,12,13)
InChIKeyNQQSDLQWLSHOOP-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.90
Rot. Bonds5

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylthiophene-2-carboxamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylthiophene-2-carboxamide (PubChem CID 71787174) has the molecular formula C11H17NO2S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylthiophene-2-carboxamide
PubChem CID71787174
Molecular FormulaC11H17NO2S2
Molecular Weight259.40 g/mol
Exact Mass259.07
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylthiophene-2-carboxamide
SMILESCSCC(C)(O)CNC(=O)c1cc(C)cs1
InChIInChI=1S/C11H17NO2S2/c1-8-4-9(16-5-8)10(13)12-6-11(2,14)7-15-3/h4-5,14H,6-7H2,1-3H3,(H,12,13)
InChIKeyNQQSDLQWLSHOOP-UHFFFAOYSA-N
XLogP1.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198
5-methyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide
CID 1247750
N-[2-(dimethylamino)ethyl]-5-ethyl-3-thiophenecarboxamide
CID 1247079
Azepan-1-yl-(5-methylthiophen-3-yl)methanone
CID 1247215
N-[2,2-dimethyl-3-[[oxo(thiophen-2-yl)methyl]amino]propyl]-2-thiophenecarboxamide
CID 2171062
2-(5-Benzylcarbamoyl-thiophen-2-yl)-2-oxoethyl ethyl trithiocarbonate
CID 24894780
5-(3-hydroxy-3-methylbut-1-ynyl)-N-(thien-2-ylmethyl)thiophene-2-carboxamide
CID 718920
1H-Pyrrole-3-carboxamide, 2,5-dihydro-N-(2-hydroxy-3-((2-thienylcarbonyl)amino)propyl)-2,2,5,5-tetramethyl-
CID 14306942
Silthiofam-des(trimethylsilyl)
CID 84557985
N-[2-(3-methylbutylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 4104414
4-[(Diethylamino)methyl]-2-thiophenecarboxamide
CID 804148
5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide
CID 2225281

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylthiophene-2-carboxamide (CID 71787174) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylthiophene-2-carboxamide is CSCC(C)(O)CNC(=O)c1cc(C)cs1.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylthiophene-2-carboxamide?
The InChIKey is NQQSDLQWLSHOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S2/c1-8-4-9(16-5-8)10(13)12-6-11(2,14)7-15-3/h4-5,14H,6-7H2,1-3H3,(H,12,13).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylthiophene-2-carboxamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylthiophene-2-carboxamide has a molecular weight of 259.40 g/mol, XLogP of 1.90, 5 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-3-methylsulfanylpropyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 71787174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).