N-[(1S,2S,4R)-2-hydroxy-4-methylcyclopentyl]thiophene-2-carboxamide

C11H15NO2S — CID 71207095

IUPACN-[(1S,2S,4R)-2-hydroxy-4-methylcyclopentyl]thiophene-2-carboxamide
SMILESC[C@@H]1C[C@H](NC(=O)c2cccs2)[C@@H](O)C1
InChIInChI=1S/C11H15NO2S/c1-7-5-8(9(13)6-7)12-11(14)10-3-2-4-15-10/h2-4,7-9,13H,5-6H2,1H3,(H,12,14)/t7-,8+,9+/m1/s1
InChIKeyJMESOZLGLOJBMW-VGMNWLOBSA-N
MW225.31 g/mol
LogP1.64
Rot. Bonds2

About N-[(1S,2S,4R)-2-hydroxy-4-methylcyclopentyl]thiophene-2-carboxamide

N-[(1S,2S,4R)-2-hydroxy-4-methylcyclopentyl]thiophene-2-carboxamide (PubChem CID 71207095) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[(1S,2S,4R)-2-hydroxy-4-methylcyclopentyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S,4R)-2-hydroxy-4-methylcyclopentyl]thiophene-2-carboxamide
PubChem CID71207095
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-[(1S,2S,4R)-2-hydroxy-4-methylcyclopentyl]thiophene-2-carboxamide
SMILESC[C@@H]1C[C@H](NC(=O)c2cccs2)[C@@H](O)C1
InChIInChI=1S/C11H15NO2S/c1-7-5-8(9(13)6-7)12-11(14)10-3-2-4-15-10/h2-4,7-9,13H,5-6H2,1H3,(H,12,14)/t7-,8+,9+/m1/s1
InChIKeyJMESOZLGLOJBMW-VGMNWLOBSA-N
XLogP1.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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-[(1S,2S,4R)-2-hydroxy-4-methylcyclopentyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1S,2S,4R)-2-hydroxy-4-methylcyclopentyl]thiophene-2-carboxamide (CID 71207095) is N-[(1S,2S,4R)-2-hydroxy-4-methylcyclopentyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S,2S,4R)-2-hydroxy-4-methylcyclopentyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1S,2S,4R)-2-hydroxy-4-methylcyclopentyl]thiophene-2-carboxamide is C[C@@H]1C[C@H](NC(=O)c2cccs2)[C@@H](O)C1.
What is the InChIKey of N-[(1S,2S,4R)-2-hydroxy-4-methylcyclopentyl]thiophene-2-carboxamide?
The InChIKey is JMESOZLGLOJBMW-VGMNWLOBSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-7-5-8(9(13)6-7)12-11(14)10-3-2-4-15-10/h2-4,7-9,13H,5-6H2,1H3,(H,12,14)/t7-,8+,9+/m1/s1.
What are the key properties of N-[(1S,2S,4R)-2-hydroxy-4-methylcyclopentyl]thiophene-2-carboxamide?
N-[(1S,2S,4R)-2-hydroxy-4-methylcyclopentyl]thiophene-2-carboxamide has a molecular weight of 225.31 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,4R)-2-hydroxy-4-methylcyclopentyl]thiophene-2-carboxamide is sourced from PubChem (CID 71207095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).