5-methylsulfanyl-4-(naphthalen-1-ylsulfonylamino)thiophene-2-carboximidamide

C16H15N3O2S3 — CID 18537224

IUPAC5-methylsulfanyl-4-(naphthalen-1-ylsulfonylamino)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(NS(=O)(=O)c2cccc3ccccc23)c(SC)s1
InChIInChI=1S/C16H15N3O2S3/c1-22-16-12(9-13(23-16)15(17)18)19-24(20,21)14-8-4-6-10-5-2-3-7-11(10)14/h2-9,19H,1H3,(H3,17,18)
InChIKeyVYLPMIZNOYJAPD-UHFFFAOYSA-N
MW377.52 g/mol
LogP3.71
Rot. Bonds5

About 5-methylsulfanyl-4-(naphthalen-1-ylsulfonylamino)thiophene-2-carboximidamide

5-methylsulfanyl-4-(naphthalen-1-ylsulfonylamino)thiophene-2-carboximidamide (PubChem CID 18537224) has the molecular formula C16H15N3O2S3 and a molecular weight of 377.52 g/mol. Its IUPAC name is 5-methylsulfanyl-4-(naphthalen-1-ylsulfonylamino)thiophene-2-carboximidamide.

Molecular Properties

Compound Name5-methylsulfanyl-4-(naphthalen-1-ylsulfonylamino)thiophene-2-carboximidamide
PubChem CID18537224
Molecular FormulaC16H15N3O2S3
Molecular Weight377.52 g/mol
Exact Mass377.03
IUPAC Name5-methylsulfanyl-4-(naphthalen-1-ylsulfonylamino)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(NS(=O)(=O)c2cccc3ccccc23)c(SC)s1
InChIInChI=1S/C16H15N3O2S3/c1-22-16-12(9-13(23-16)15(17)18)19-24(20,21)14-8-4-6-10-5-2-3-7-11(10)14/h2-9,19H,1H3,(H3,17,18)
InChIKeyVYLPMIZNOYJAPD-UHFFFAOYSA-N
XLogP3.71
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.52
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-4-(naphthalen-1-ylsulfonylamino)thiophene-2-carboximidamide?
The IUPAC name of 5-methylsulfanyl-4-(naphthalen-1-ylsulfonylamino)thiophene-2-carboximidamide (CID 18537224) is 5-methylsulfanyl-4-(naphthalen-1-ylsulfonylamino)thiophene-2-carboximidamide.
What is the SMILES notation for 5-methylsulfanyl-4-(naphthalen-1-ylsulfonylamino)thiophene-2-carboximidamide?
The canonical SMILES for 5-methylsulfanyl-4-(naphthalen-1-ylsulfonylamino)thiophene-2-carboximidamide is [H]/N=C(\N)c1cc(NS(=O)(=O)c2cccc3ccccc23)c(SC)s1.
What is the InChIKey of 5-methylsulfanyl-4-(naphthalen-1-ylsulfonylamino)thiophene-2-carboximidamide?
The InChIKey is VYLPMIZNOYJAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S3/c1-22-16-12(9-13(23-16)15(17)18)19-24(20,21)14-8-4-6-10-5-2-3-7-11(10)14/h2-9,19H,1H3,(H3,17,18).
What are the key properties of 5-methylsulfanyl-4-(naphthalen-1-ylsulfonylamino)thiophene-2-carboximidamide?
5-methylsulfanyl-4-(naphthalen-1-ylsulfonylamino)thiophene-2-carboximidamide has a molecular weight of 377.52 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-4-(naphthalen-1-ylsulfonylamino)thiophene-2-carboximidamide is sourced from PubChem (CID 18537224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).