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

C12H17NO3S — CID 71785783

IUPACN-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NC2CC(O)C(CO)C2)c1
InChIInChI=1S/C12H17NO3S/c1-7-2-11(17-6-7)12(16)13-9-3-8(5-14)10(15)4-9/h2,6,8-10,14-15H,3-5H2,1H3,(H,13,16)
InChIKeyWTOMKOQTOPRPEB-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.92
Rot. Bonds3

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

N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide (PubChem CID 71785783) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide
PubChem CID71785783
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NC2CC(O)C(CO)C2)c1
InChIInChI=1S/C12H17NO3S/c1-7-2-11(17-6-7)12(16)13-9-3-8(5-14)10(15)4-9/h2,6,8-10,14-15H,3-5H2,1H3,(H,13,16)
InChIKeyWTOMKOQTOPRPEB-UHFFFAOYSA-N
XLogP0.92
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.92
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]-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide (CID 71785783) is N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NC2CC(O)C(CO)C2)c1.
What is the InChIKey of N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide?
The InChIKey is WTOMKOQTOPRPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-7-2-11(17-6-7)12(16)13-9-3-8(5-14)10(15)4-9/h2,6,8-10,14-15H,3-5H2,1H3,(H,13,16).
What are the key properties of N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide?
N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.92, 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]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 71785783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).