4-chloro-N-[3-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide

C10H12ClNO2S — CID 167915483

IUPAC4-chloro-N-[3-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide
SMILESO=C(NC1CC(CO)C1)c1cc(Cl)cs1
InChIInChI=1S/C10H12ClNO2S/c11-7-3-9(15-5-7)10(14)12-8-1-6(2-8)4-13/h3,5-6,8,13H,1-2,4H2,(H,12,14)
InChIKeyZKCXMFLVVXCSCZ-UHFFFAOYSA-N
MW245.73 g/mol
LogP1.90
Rot. Bonds3

About 4-chloro-N-[3-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide

4-chloro-N-[3-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide (PubChem CID 167915483) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is 4-chloro-N-[3-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide
PubChem CID167915483
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name4-chloro-N-[3-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide
SMILESO=C(NC1CC(CO)C1)c1cc(Cl)cs1
InChIInChI=1S/C10H12ClNO2S/c11-7-3-9(15-5-7)10(14)12-8-1-6(2-8)4-13/h3,5-6,8,13H,1-2,4H2,(H,12,14)
InChIKeyZKCXMFLVVXCSCZ-UHFFFAOYSA-N
XLogP1.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide?
The IUPAC name of 4-chloro-N-[3-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide (CID 167915483) is 4-chloro-N-[3-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide?
The canonical SMILES for 4-chloro-N-[3-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide is O=C(NC1CC(CO)C1)c1cc(Cl)cs1.
What is the InChIKey of 4-chloro-N-[3-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide?
The InChIKey is ZKCXMFLVVXCSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c11-7-3-9(15-5-7)10(14)12-8-1-6(2-8)4-13/h3,5-6,8,13H,1-2,4H2,(H,12,14).
What are the key properties of 4-chloro-N-[3-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide?
4-chloro-N-[3-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide has a molecular weight of 245.73 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide is sourced from PubChem (CID 167915483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).