[5-(5-methylsulfonylthiophen-2-yl)sulfonylthiophen-2-yl]methanamine

C10H11NO4S4 — CID 130358502

IUPAC[5-(5-methylsulfonylthiophen-2-yl)sulfonylthiophen-2-yl]methanamine
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)s1
InChIInChI=1S/C10H11NO4S4/c1-18(12,13)8-4-5-10(17-8)19(14,15)9-3-2-7(6-11)16-9/h2-5H,6,11H2,1H3
InChIKeyKKMATUUIWQOTNQ-UHFFFAOYSA-N
MW337.47 g/mol
LogP1.50
Rot. Bonds4

About [5-(5-methylsulfonylthiophen-2-yl)sulfonylthiophen-2-yl]methanamine

[5-(5-methylsulfonylthiophen-2-yl)sulfonylthiophen-2-yl]methanamine (PubChem CID 130358502) has the molecular formula C10H11NO4S4 and a molecular weight of 337.47 g/mol. Its IUPAC name is [5-(5-methylsulfonylthiophen-2-yl)sulfonylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(5-methylsulfonylthiophen-2-yl)sulfonylthiophen-2-yl]methanamine
PubChem CID130358502
Molecular FormulaC10H11NO4S4
Molecular Weight337.47 g/mol
Exact Mass336.96
IUPAC Name[5-(5-methylsulfonylthiophen-2-yl)sulfonylthiophen-2-yl]methanamine
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)s1
InChIInChI=1S/C10H11NO4S4/c1-18(12,13)8-4-5-10(17-8)19(14,15)9-3-2-7(6-11)16-9/h2-5H,6,11H2,1H3
InChIKeyKKMATUUIWQOTNQ-UHFFFAOYSA-N
XLogP1.50
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(5-methylsulfonylthiophen-2-yl)sulfonylthiophen-2-yl]methanamine?
The IUPAC name of [5-(5-methylsulfonylthiophen-2-yl)sulfonylthiophen-2-yl]methanamine (CID 130358502) is [5-(5-methylsulfonylthiophen-2-yl)sulfonylthiophen-2-yl]methanamine.
What is the SMILES notation for [5-(5-methylsulfonylthiophen-2-yl)sulfonylthiophen-2-yl]methanamine?
The canonical SMILES for [5-(5-methylsulfonylthiophen-2-yl)sulfonylthiophen-2-yl]methanamine is CS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)s1.
What is the InChIKey of [5-(5-methylsulfonylthiophen-2-yl)sulfonylthiophen-2-yl]methanamine?
The InChIKey is KKMATUUIWQOTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S4/c1-18(12,13)8-4-5-10(17-8)19(14,15)9-3-2-7(6-11)16-9/h2-5H,6,11H2,1H3.
What are the key properties of [5-(5-methylsulfonylthiophen-2-yl)sulfonylthiophen-2-yl]methanamine?
[5-(5-methylsulfonylthiophen-2-yl)sulfonylthiophen-2-yl]methanamine has a molecular weight of 337.47 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methylsulfonylthiophen-2-yl)sulfonylthiophen-2-yl]methanamine is sourced from PubChem (CID 130358502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).