N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-thiophen-2-ylacetamide

C12H17NO3S — CID 71785747

IUPACN-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC1CC(O)C(CO)C1
InChIInChI=1S/C12H17NO3S/c14-7-8-4-9(5-11(8)15)13-12(16)6-10-2-1-3-17-10/h1-3,8-9,11,14-15H,4-7H2,(H,13,16)
InChIKeyWXNSIBVNKNTWBZ-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.54
Rot. Bonds4

About N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-thiophen-2-ylacetamide

N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-thiophen-2-ylacetamide (PubChem CID 71785747) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-thiophen-2-ylacetamide
PubChem CID71785747
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC1CC(O)C(CO)C1
InChIInChI=1S/C12H17NO3S/c14-7-8-4-9(5-11(8)15)13-12(16)6-10-2-1-3-17-10/h1-3,8-9,11,14-15H,4-7H2,(H,13,16)
InChIKeyWXNSIBVNKNTWBZ-UHFFFAOYSA-N
XLogP0.54
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.54
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]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-thiophen-2-ylacetamide (CID 71785747) is N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NC1CC(O)C(CO)C1.
What is the InChIKey of N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-thiophen-2-ylacetamide?
The InChIKey is WXNSIBVNKNTWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c14-7-8-4-9(5-11(8)15)13-12(16)6-10-2-1-3-17-10/h1-3,8-9,11,14-15H,4-7H2,(H,13,16).
What are the key properties of N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-thiophen-2-ylacetamide?
N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-thiophen-2-ylacetamide has a molecular weight of 255.34 g/mol, XLogP of 0.54, 4 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]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 71785747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).