N-(3-cyclopropyl-3-hydroxypropyl)thiophene-3-carboxamide

C11H15NO2S — CID 71787433

IUPACN-(3-cyclopropyl-3-hydroxypropyl)thiophene-3-carboxamide
SMILESO=C(NCCC(O)C1CC1)c1ccsc1
InChIInChI=1S/C11H15NO2S/c13-10(8-1-2-8)3-5-12-11(14)9-4-6-15-7-9/h4,6-8,10,13H,1-3,5H2,(H,12,14)
InChIKeyRLMOBYPAWAUGCE-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.64
Rot. Bonds5

About N-(3-cyclopropyl-3-hydroxypropyl)thiophene-3-carboxamide

N-(3-cyclopropyl-3-hydroxypropyl)thiophene-3-carboxamide (PubChem CID 71787433) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-(3-cyclopropyl-3-hydroxypropyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-3-hydroxypropyl)thiophene-3-carboxamide
PubChem CID71787433
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-(3-cyclopropyl-3-hydroxypropyl)thiophene-3-carboxamide
SMILESO=C(NCCC(O)C1CC1)c1ccsc1
InChIInChI=1S/C11H15NO2S/c13-10(8-1-2-8)3-5-12-11(14)9-4-6-15-7-9/h4,6-8,10,13H,1-3,5H2,(H,12,14)
InChIKeyRLMOBYPAWAUGCE-UHFFFAOYSA-N
XLogP1.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-3-hydroxypropyl)thiophene-3-carboxamide?
The IUPAC name of N-(3-cyclopropyl-3-hydroxypropyl)thiophene-3-carboxamide (CID 71787433) is N-(3-cyclopropyl-3-hydroxypropyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(3-cyclopropyl-3-hydroxypropyl)thiophene-3-carboxamide?
The canonical SMILES for N-(3-cyclopropyl-3-hydroxypropyl)thiophene-3-carboxamide is O=C(NCCC(O)C1CC1)c1ccsc1.
What is the InChIKey of N-(3-cyclopropyl-3-hydroxypropyl)thiophene-3-carboxamide?
The InChIKey is RLMOBYPAWAUGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-10(8-1-2-8)3-5-12-11(14)9-4-6-15-7-9/h4,6-8,10,13H,1-3,5H2,(H,12,14).
What are the key properties of N-(3-cyclopropyl-3-hydroxypropyl)thiophene-3-carboxamide?
N-(3-cyclopropyl-3-hydroxypropyl)thiophene-3-carboxamide has a molecular weight of 225.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-3-hydroxypropyl)thiophene-3-carboxamide is sourced from PubChem (CID 71787433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).