N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide

C11H15NO3S — CID 107301506

IUPACN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
SMILESCC1OCCC1(O)CNC(=O)c1ccsc1
InChIInChI=1S/C11H15NO3S/c1-8-11(14,3-4-15-8)7-12-10(13)9-2-5-16-6-9/h2,5-6,8,14H,3-4,7H2,1H3,(H,12,13)
InChIKeyZCYXGWLXBJUYJZ-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.02
Rot. Bonds3

About N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide (PubChem CID 107301506) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
PubChem CID107301506
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
SMILESCC1OCCC1(O)CNC(=O)c1ccsc1
InChIInChI=1S/C11H15NO3S/c1-8-11(14,3-4-15-8)7-12-10(13)9-2-5-16-6-9/h2,5-6,8,14H,3-4,7H2,1H3,(H,12,13)
InChIKeyZCYXGWLXBJUYJZ-UHFFFAOYSA-N
XLogP1.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide
CID 107302098
4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide
CID 107302150
4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301763
3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107302216
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-iodobenzamide
CID 107301897
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-propan-2-yloxybenzamide
CID 107302261
3-bromo-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylbenzamide
CID 107302290
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-indole-5-carboxamide
CID 107302119
3-(dimethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301705
3-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methoxybenzamide
CID 107301628
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-3-carboxamide
CID 65118946
2-(3,4-dimethylphenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301485

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide (CID 107301506) is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide is CC1OCCC1(O)CNC(=O)c1ccsc1.
What is the InChIKey of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide?
The InChIKey is ZCYXGWLXBJUYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-8-11(14,3-4-15-8)7-12-10(13)9-2-5-16-6-9/h2,5-6,8,14H,3-4,7H2,1H3,(H,12,13).
What are the key properties of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide?
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide has a molecular weight of 241.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 107301506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).