(4-naphthalen-2-ylsulfonylthiophen-2-yl)methanamine

C15H13NO2S2 — CID 130345241

IUPAC(4-naphthalen-2-ylsulfonylthiophen-2-yl)methanamine
SMILESNCc1cc(S(=O)(=O)c2ccc3ccccc3c2)cs1
InChIInChI=1S/C15H13NO2S2/c16-9-13-8-15(10-19-13)20(17,18)14-6-5-11-3-1-2-4-12(11)7-14/h1-8,10H,9,16H2
InChIKeyOBMPUVYMZAASTJ-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.19
Rot. Bonds3

About (4-naphthalen-2-ylsulfonylthiophen-2-yl)methanamine

(4-naphthalen-2-ylsulfonylthiophen-2-yl)methanamine (PubChem CID 130345241) has the molecular formula C15H13NO2S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (4-naphthalen-2-ylsulfonylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-naphthalen-2-ylsulfonylthiophen-2-yl)methanamine
PubChem CID130345241
Molecular FormulaC15H13NO2S2
Molecular Weight303.41 g/mol
Exact Mass303.04
IUPAC Name(4-naphthalen-2-ylsulfonylthiophen-2-yl)methanamine
SMILESNCc1cc(S(=O)(=O)c2ccc3ccccc3c2)cs1
InChIInChI=1S/C15H13NO2S2/c16-9-13-8-15(10-19-13)20(17,18)14-6-5-11-3-1-2-4-12(11)7-14/h1-8,10H,9,16H2
InChIKeyOBMPUVYMZAASTJ-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
2,4,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 6461005
5-Methylsulfanyl-4-(naphthalene-2-sulfonyl)-thiophene-2-carboxamidine
CID 21057157
(5-Naphthalen-2-ylsulfonylthiophen-2-yl)methanamine
CID 130345191
4-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 5190927
US10807974, Example 1
CID 130344943
US10807974, Example 7
CID 130345192
US10807974, Example 120
CID 130344950
[5-(3-Phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride
CID 155535188
[5-[3-(2-Ethylphenyl)-5-methylsulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride
CID 155560077
N-(1-benzothiophen-3-ylmethyl)-4-methylbenzenesulfonamide
CID 2826167
4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 2804541

Frequently Asked Questions

What is the IUPAC name of (4-naphthalen-2-ylsulfonylthiophen-2-yl)methanamine?
The IUPAC name of (4-naphthalen-2-ylsulfonylthiophen-2-yl)methanamine (CID 130345241) is (4-naphthalen-2-ylsulfonylthiophen-2-yl)methanamine.
What is the SMILES notation for (4-naphthalen-2-ylsulfonylthiophen-2-yl)methanamine?
The canonical SMILES for (4-naphthalen-2-ylsulfonylthiophen-2-yl)methanamine is NCc1cc(S(=O)(=O)c2ccc3ccccc3c2)cs1.
What is the InChIKey of (4-naphthalen-2-ylsulfonylthiophen-2-yl)methanamine?
The InChIKey is OBMPUVYMZAASTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S2/c16-9-13-8-15(10-19-13)20(17,18)14-6-5-11-3-1-2-4-12(11)7-14/h1-8,10H,9,16H2.
What are the key properties of (4-naphthalen-2-ylsulfonylthiophen-2-yl)methanamine?
(4-naphthalen-2-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 (4-naphthalen-2-ylsulfonylthiophen-2-yl)methanamine is sourced from PubChem (CID 130345241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).