(5-naphthalen-1-ylsulfonylthiophen-2-yl)methanamine

C15H13NO2S2 — CID 130345192

IUPAC(5-naphthalen-1-ylsulfonylthiophen-2-yl)methanamine
SMILESNCc1ccc(S(=O)(=O)c2cccc3ccccc23)s1
InChIInChI=1S/C15H13NO2S2/c16-10-12-8-9-15(19-12)20(17,18)14-7-3-5-11-4-1-2-6-13(11)14/h1-9H,10,16H2
InChIKeyOEQAIWGPRVSJAU-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.19
Rot. Bonds3

About (5-naphthalen-1-ylsulfonylthiophen-2-yl)methanamine

(5-naphthalen-1-ylsulfonylthiophen-2-yl)methanamine (PubChem CID 130345192) has the molecular formula C15H13NO2S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (5-naphthalen-1-ylsulfonylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-naphthalen-1-ylsulfonylthiophen-2-yl)methanamine
PubChem CID130345192
Molecular FormulaC15H13NO2S2
Molecular Weight303.41 g/mol
Exact Mass303.04
IUPAC Name(5-naphthalen-1-ylsulfonylthiophen-2-yl)methanamine
SMILESNCc1ccc(S(=O)(=O)c2cccc3ccccc23)s1
InChIInChI=1S/C15H13NO2S2/c16-10-12-8-9-15(19-12)20(17,18)14-7-3-5-11-4-1-2-6-13(11)14/h1-9H,10,16H2
InChIKeyOEQAIWGPRVSJAU-UHFFFAOYSA-N
XLogP3.19
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cct365623
CID 130345035
[5-[3-(4-Methylphenyl)-4-methylsulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride
CID 130345158
[5-[3-(4-Methylphenyl)-4-methylsulfonylphenyl]sulfonylthiophen-2-yl]methanamine
CID 130345159
(5-Naphthalen-2-ylsulfonylthiophen-2-yl)methanamine
CID 130345191
US10807974, Example 80
CID 130358062
N-(1-benzothiophen-3-ylmethyl)-4-fluorobenzenesulfonamide
CID 2826148
[5-(3-Ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride
CID 130344949
US10807974, Example 120
CID 130344950
[5-[3-(4-Fluorophenyl)-4-methylsulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride
CID 130345251
US10807974, Example 84
CID 130345252
[5-(3-Phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride
CID 155535188
[5-[3-(2-Ethylphenyl)-5-methylsulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride
CID 155560077

Frequently Asked Questions

What is the IUPAC name of (5-naphthalen-1-ylsulfonylthiophen-2-yl)methanamine?
The IUPAC name of (5-naphthalen-1-ylsulfonylthiophen-2-yl)methanamine (CID 130345192) is (5-naphthalen-1-ylsulfonylthiophen-2-yl)methanamine.
What is the SMILES notation for (5-naphthalen-1-ylsulfonylthiophen-2-yl)methanamine?
The canonical SMILES for (5-naphthalen-1-ylsulfonylthiophen-2-yl)methanamine is NCc1ccc(S(=O)(=O)c2cccc3ccccc23)s1.
What is the InChIKey of (5-naphthalen-1-ylsulfonylthiophen-2-yl)methanamine?
The InChIKey is OEQAIWGPRVSJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S2/c16-10-12-8-9-15(19-12)20(17,18)14-7-3-5-11-4-1-2-6-13(11)14/h1-9H,10,16H2.
What are the key properties of (5-naphthalen-1-ylsulfonylthiophen-2-yl)methanamine?
(5-naphthalen-1-ylsulfonylthiophen-2-yl)methanamine has a molecular weight of 303.41 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-naphthalen-1-ylsulfonylthiophen-2-yl)methanamine is sourced from PubChem (CID 130345192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).