N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide

C11H15NO3S — CID 71785754

IUPACN-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
SMILESO=C(NC1CC(O)C(CO)C1)c1cccs1
InChIInChI=1S/C11H15NO3S/c13-6-7-4-8(5-9(7)14)12-11(15)10-2-1-3-16-10/h1-3,7-9,13-14H,4-6H2,(H,12,15)
InChIKeyDOYNKNOKBFBIEX-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.61
Rot. Bonds3

About N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide

N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide (PubChem CID 71785754) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
PubChem CID71785754
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
SMILESO=C(NC1CC(O)C(CO)C1)c1cccs1
InChIInChI=1S/C11H15NO3S/c13-6-7-4-8(5-9(7)14)12-11(15)10-2-1-3-16-10/h1-3,7-9,13-14H,4-6H2,(H,12,15)
InChIKeyDOYNKNOKBFBIEX-UHFFFAOYSA-N
XLogP0.61
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide (CID 71785754) is N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide is O=C(NC1CC(O)C(CO)C1)c1cccs1.
What is the InChIKey of N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide?
The InChIKey is DOYNKNOKBFBIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c13-6-7-4-8(5-9(7)14)12-11(15)10-2-1-3-16-10/h1-3,7-9,13-14H,4-6H2,(H,12,15).
What are the key properties of N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide?
N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide has a molecular weight of 241.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide is sourced from PubChem (CID 71785754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).