2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylic acid

C15H17NO3S — CID 68727130

IUPAC2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1NC(=O)C12CC3CC(CC1C3)C2
InChIInChI=1S/C15H17NO3S/c17-13(18)11-1-2-20-12(11)16-14(19)15-6-8-3-9(7-15)5-10(15)4-8/h1-2,8-10H,3-7H2,(H,16,19)(H,17,18)
InChIKeyVDWJGQLZAYZNAI-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.21
Rot. Bonds3

About 2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylic acid

2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylic acid (PubChem CID 68727130) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylic acid
PubChem CID68727130
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1NC(=O)C12CC3CC(CC1C3)C2
InChIInChI=1S/C15H17NO3S/c17-13(18)11-1-2-20-12(11)16-14(19)15-6-8-3-9(7-15)5-10(15)4-8/h1-2,8-10H,3-7H2,(H,16,19)(H,17,18)
InChIKeyVDWJGQLZAYZNAI-UHFFFAOYSA-N
XLogP3.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylic acid (CID 68727130) is 2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylic acid is O=C(O)c1ccsc1NC(=O)C12CC3CC(CC1C3)C2.
What is the InChIKey of 2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylic acid?
The InChIKey is VDWJGQLZAYZNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c17-13(18)11-1-2-20-12(11)16-14(19)15-6-8-3-9(7-15)5-10(15)4-8/h1-2,8-10H,3-7H2,(H,16,19)(H,17,18).
What are the key properties of 2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylic acid?
2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylic acid has a molecular weight of 291.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 68727130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).