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

C11H14ClNO3S — CID 71785782

IUPAC5-chloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
SMILESO=C(NC1CC(O)C(CO)C1)c1ccc(Cl)s1
InChIInChI=1S/C11H14ClNO3S/c12-10-2-1-9(17-10)11(16)13-7-3-6(5-14)8(15)4-7/h1-2,6-8,14-15H,3-5H2,(H,13,16)
InChIKeySEYUYMPUVVOTGQ-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.26
Rot. Bonds3

About 5-chloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide

5-chloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide (PubChem CID 71785782) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 5-chloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
PubChem CID71785782
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name5-chloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
SMILESO=C(NC1CC(O)C(CO)C1)c1ccc(Cl)s1
InChIInChI=1S/C11H14ClNO3S/c12-10-2-1-9(17-10)11(16)13-7-3-6(5-14)8(15)4-7/h1-2,6-8,14-15H,3-5H2,(H,13,16)
InChIKeySEYUYMPUVVOTGQ-UHFFFAOYSA-N
XLogP1.26
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide (CID 71785782) is 5-chloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide is O=C(NC1CC(O)C(CO)C1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide?
The InChIKey is SEYUYMPUVVOTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c12-10-2-1-9(17-10)11(16)13-7-3-6(5-14)8(15)4-7/h1-2,6-8,14-15H,3-5H2,(H,13,16).
What are the key properties of 5-chloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide?
5-chloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide has a molecular weight of 275.76 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide is sourced from PubChem (CID 71785782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).