N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]thiophene-3-carboxamide

C10H15NO3S — CID 95368828

IUPACN-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]thiophene-3-carboxamide
SMILESCOC[C@@](C)(O)CNC(=O)c1ccsc1
InChIInChI=1S/C10H15NO3S/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)/t10-/m0/s1
InChIKeyYAUTVTCMEHOKEM-JTQLQIEISA-N
MW229.30 g/mol
LogP0.88
Rot. Bonds5

About N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]thiophene-3-carboxamide

N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]thiophene-3-carboxamide (PubChem CID 95368828) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]thiophene-3-carboxamide
PubChem CID95368828
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC NameN-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]thiophene-3-carboxamide
SMILESCOC[C@@](C)(O)CNC(=O)c1ccsc1
InChIInChI=1S/C10H15NO3S/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)/t10-/m0/s1
InChIKeyYAUTVTCMEHOKEM-JTQLQIEISA-N
XLogP0.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-Ethoxy-2-hydroxypropyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 56803135
N-(2-hydroxy-2-methyl-4-(methylthio)butyl)thiophene-3-carboxamide
CID 71787267
N-((3-methoxytetrahydrothiophen-3-yl)methyl)thiophene-3-carboxamide
CID 71804815
N-(2-hydroxy-3-methoxy-2-methylpropyl)thiophene-3-carboxamide
CID 56724179
N-[(S)-2-hydroxy-3-methoxy-2-methylpropyl]-4-methyl-2-thenamide
CID 95368833
N-[(S)-2-hydroxy-2-methyl-4-(methylthio)butyl]-3-thenamide
CID 95984273
8-(Thiophene-3-carbonyl)-1-oxa-4,8-diazacycloundecan-5-one
CID 110201624
3-(2-Methoxyethoxy)-1-(thiophene-3-carbonyl)pyrrolidine
CID 124072654
N-Butylthiophene-3-carboxamide
CID 12161492
N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]thiophene-3-carboxamide
CID 164634589
N-Propylthiophene-3-carboxamide
CID 23273494
N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-carboxamide
CID 60401430

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]thiophene-3-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]thiophene-3-carboxamide (CID 95368828) is N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]thiophene-3-carboxamide is COC[C@@](C)(O)CNC(=O)c1ccsc1.
What is the InChIKey of N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]thiophene-3-carboxamide?
The InChIKey is YAUTVTCMEHOKEM-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15NO3S/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)/t10-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]thiophene-3-carboxamide?
N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]thiophene-3-carboxamide has a molecular weight of 229.30 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]thiophene-3-carboxamide is sourced from PubChem (CID 95368828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).