N-[(1R,4R)-2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl]thiophene-2-carboxamide

C9H10N2OS3 — CID 11859676

IUPACN-[(1R,4R)-2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl]thiophene-2-carboxamide
SMILESO=C(NN1[C@H]2CS[C@@H]1CS2)c1cccs1
InChIInChI=1S/C9H10N2OS3/c12-9(6-2-1-3-13-6)10-11-7-4-14-8(11)5-15-7/h1-3,7-8H,4-5H2,(H,10,12)/t7-,8-/m1/s1
InChIKeyYSOSBYDRXJRJMY-HTQZYQBOSA-N
MW258.39 g/mol
LogP1.84
Rot. Bonds2

About N-[(1R,4R)-2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl]thiophene-2-carboxamide

N-[(1R,4R)-2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl]thiophene-2-carboxamide (PubChem CID 11859676) has the molecular formula C9H10N2OS3 and a molecular weight of 258.39 g/mol. Its IUPAC name is N-[(1R,4R)-2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,4R)-2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl]thiophene-2-carboxamide
PubChem CID11859676
Molecular FormulaC9H10N2OS3
Molecular Weight258.39 g/mol
Exact Mass258.00
IUPAC NameN-[(1R,4R)-2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl]thiophene-2-carboxamide
SMILESO=C(NN1[C@H]2CS[C@@H]1CS2)c1cccs1
InChIInChI=1S/C9H10N2OS3/c12-9(6-2-1-3-13-6)10-11-7-4-14-8(11)5-15-7/h1-3,7-8H,4-5H2,(H,10,12)/t7-,8-/m1/s1
InChIKeyYSOSBYDRXJRJMY-HTQZYQBOSA-N
XLogP1.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,4R)-2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl]thiophene-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

Related Compounds

N-(2H-pyridin-1-yl)thiophene-2-carboxamide
CID 177178032
N-sulfanylthiophene-2-carboxamide
CID 87476143
N-(2-amino-2-cyclopropylethyl)thiophene-2-carboxamide
CID 115301080
N-(2-adamantyl)thiophene-2-carboxamide
CID 875243
N-formylthiophene-2-carboxamide
CID 2771336
N-[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 110880549
N-(oxiran-2-ylmethyl)thiophene-2-carboxamide
CID 102548401
N'-[2-(4-hydroxypiperidin-1-yl)acetyl]thiophene-2-carbohydrazide
CID 60674119
2-(1,2,2-trithiophen-2-ylethenyl)thiophene
CID 15249530
N-cyclopropyl-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide
CID 47386196
sodium thiophene-2-carboxylate
CID 23672340
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 46454753

Frequently Asked Questions

What is the IUPAC name of N-[(1R,4R)-2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(1R,4R)-2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl]thiophene-2-carboxamide (CID 11859676) is N-[(1R,4R)-2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1R,4R)-2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1R,4R)-2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl]thiophene-2-carboxamide is O=C(NN1[C@H]2CS[C@@H]1CS2)c1cccs1.
What is the InChIKey of N-[(1R,4R)-2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl]thiophene-2-carboxamide?
The InChIKey is YSOSBYDRXJRJMY-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H10N2OS3/c12-9(6-2-1-3-13-6)10-11-7-4-14-8(11)5-15-7/h1-3,7-8H,4-5H2,(H,10,12)/t7-,8-/m1/s1.
What are the key properties of N-[(1R,4R)-2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl]thiophene-2-carboxamide?
N-[(1R,4R)-2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl]thiophene-2-carboxamide has a molecular weight of 258.39 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,4R)-2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl]thiophene-2-carboxamide is sourced from PubChem (CID 11859676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).