N-[1-(hydroxymethyl)cyclopropyl]-1-benzothiophene-3-carboxamide

C13H13NO2S — CID 115877819

IUPACN-[1-(hydroxymethyl)cyclopropyl]-1-benzothiophene-3-carboxamide
SMILESO=C(NC1(CO)CC1)c1csc2ccccc12
InChIInChI=1S/C13H13NO2S/c15-8-13(5-6-13)14-12(16)10-7-17-11-4-2-1-3-9(10)11/h1-4,7,15H,5-6,8H2,(H,14,16)
InChIKeyLVZLDSVDLQPUIP-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.16
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclopropyl]-1-benzothiophene-3-carboxamide

N-[1-(hydroxymethyl)cyclopropyl]-1-benzothiophene-3-carboxamide (PubChem CID 115877819) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]-1-benzothiophene-3-carboxamide
PubChem CID115877819
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]-1-benzothiophene-3-carboxamide
SMILESO=C(NC1(CO)CC1)c1csc2ccccc12
InChIInChI=1S/C13H13NO2S/c15-8-13(5-6-13)14-12(16)10-7-17-11-4-2-1-3-9(10)11/h1-4,7,15H,5-6,8H2,(H,14,16)
InChIKeyLVZLDSVDLQPUIP-UHFFFAOYSA-N
XLogP2.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-1-benzothiophene-3-carboxamide (CID 115877819) is N-[1-(hydroxymethyl)cyclopropyl]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]-1-benzothiophene-3-carboxamide is O=C(NC1(CO)CC1)c1csc2ccccc12.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]-1-benzothiophene-3-carboxamide?
The InChIKey is LVZLDSVDLQPUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c15-8-13(5-6-13)14-12(16)10-7-17-11-4-2-1-3-9(10)11/h1-4,7,15H,5-6,8H2,(H,14,16).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]-1-benzothiophene-3-carboxamide?
N-[1-(hydroxymethyl)cyclopropyl]-1-benzothiophene-3-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 115877819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).