N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-3-carboxamide

C10H15NO2S2 — CID 90522939

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-3-carboxamide
SMILESCSCC(C)(O)CNC(=O)c1ccsc1
InChIInChI=1S/C10H15NO2S2/c1-10(13,7-14-2)6-11-9(12)8-3-4-15-5-8/h3-5,13H,6-7H2,1-2H3,(H,11,12)
InChIKeyVOPYJCFQPSLUDS-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.59
Rot. Bonds5

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-3-carboxamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-3-carboxamide (PubChem CID 90522939) has the molecular formula C10H15NO2S2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-3-carboxamide
PubChem CID90522939
Molecular FormulaC10H15NO2S2
Molecular Weight245.37 g/mol
Exact Mass245.05
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-3-carboxamide
SMILESCSCC(C)(O)CNC(=O)c1ccsc1
InChIInChI=1S/C10H15NO2S2/c1-10(13,7-14-2)6-11-9(12)8-3-4-15-5-8/h3-5,13H,6-7H2,1-2H3,(H,11,12)
InChIKeyVOPYJCFQPSLUDS-UHFFFAOYSA-N
XLogP1.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-4-thiophen-3-ylbenzamide
CID 100701158
N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide
CID 65110228
3-hydroxy-3-methyl-4-(thiophene-3-carbonylamino)butanoic acid
CID 66000914
N-(2-hydroxy-2,4-dimethylpentyl)thiophene-3-carboxamide
CID 66179515
N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide
CID 52992676
N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide
CID 111485327
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfanylbenzamide
CID 113239555
N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide
CID 115364717
3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 106244209
4-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide
CID 95977014
4-bromo-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]thiophene-2-carboxamide
CID 99695648
N-(2-methyl-2-phenylpropyl)thiophene-3-carboxamide
CID 39700914

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-3-carboxamide (CID 90522939) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-3-carboxamide is CSCC(C)(O)CNC(=O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-3-carboxamide?
The InChIKey is VOPYJCFQPSLUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S2/c1-10(13,7-14-2)6-11-9(12)8-3-4-15-5-8/h3-5,13H,6-7H2,1-2H3,(H,11,12).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-3-carboxamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-3-carboxamide has a molecular weight of 245.37 g/mol, XLogP of 1.59, 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)thiophene-3-carboxamide is sourced from PubChem (CID 90522939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).