N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-chlorothiophene-2-carboxamide

C11H13ClN2OS — CID 20815141

IUPACN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-chlorothiophene-2-carboxamide
SMILESO=C(NC1CN2CC[C@H]1C2)c1ccc(Cl)s1
InChIInChI=1S/C11H13ClN2OS/c12-10-2-1-9(16-10)11(15)13-8-6-14-4-3-7(8)5-14/h1-2,7-8H,3-6H2,(H,13,15)/t7-,8?/m0/s1
InChIKeyLVVYERATFOLKFH-JAMMHHFISA-N
MW256.76 g/mol
LogP1.84
Rot. Bonds2

About N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-chlorothiophene-2-carboxamide

N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-chlorothiophene-2-carboxamide (PubChem CID 20815141) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-chlorothiophene-2-carboxamide
PubChem CID20815141
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC NameN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-chlorothiophene-2-carboxamide
SMILESO=C(NC1CN2CC[C@H]1C2)c1ccc(Cl)s1
InChIInChI=1S/C11H13ClN2OS/c12-10-2-1-9(16-10)11(15)13-8-6-14-4-3-7(8)5-14/h1-2,7-8H,3-6H2,(H,13,15)/t7-,8?/m0/s1
InChIKeyLVVYERATFOLKFH-JAMMHHFISA-N
XLogP1.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-chlorothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-chlorothiophene-2-carboxamide (CID 20815141) is N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-chlorothiophene-2-carboxamide is O=C(NC1CN2CC[C@H]1C2)c1ccc(Cl)s1.
What is the InChIKey of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-chlorothiophene-2-carboxamide?
The InChIKey is LVVYERATFOLKFH-JAMMHHFISA-N. The full InChI is InChI=1S/C11H13ClN2OS/c12-10-2-1-9(16-10)11(15)13-8-6-14-4-3-7(8)5-14/h1-2,7-8H,3-6H2,(H,13,15)/t7-,8?/m0/s1.
What are the key properties of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-chlorothiophene-2-carboxamide?
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-chlorothiophene-2-carboxamide has a molecular weight of 256.76 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 20815141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).