[5-(3-methylsulfonyl-5-pyridin-3-ylphenyl)sulfonylthiophen-2-yl]methanamine

C17H16N2O4S3 — CID 130344906

IUPAC[5-(3-methylsulfonyl-5-pyridin-3-ylphenyl)sulfonylthiophen-2-yl]methanamine
SMILESCS(=O)(=O)c1cc(-c2cccnc2)cc(S(=O)(=O)c2ccc(CN)s2)c1
InChIInChI=1S/C17H16N2O4S3/c1-25(20,21)15-7-13(12-3-2-6-19-11-12)8-16(9-15)26(22,23)17-5-4-14(10-18)24-17/h2-9,11H,10,18H2,1H3
InChIKeyVIHMOJVYFRPWEY-UHFFFAOYSA-N
MW408.53 g/mol
LogP2.51
Rot. Bonds5

About [5-(3-methylsulfonyl-5-pyridin-3-ylphenyl)sulfonylthiophen-2-yl]methanamine

[5-(3-methylsulfonyl-5-pyridin-3-ylphenyl)sulfonylthiophen-2-yl]methanamine (PubChem CID 130344906) has the molecular formula C17H16N2O4S3 and a molecular weight of 408.53 g/mol. Its IUPAC name is [5-(3-methylsulfonyl-5-pyridin-3-ylphenyl)sulfonylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methylsulfonyl-5-pyridin-3-ylphenyl)sulfonylthiophen-2-yl]methanamine
PubChem CID130344906
Molecular FormulaC17H16N2O4S3
Molecular Weight408.53 g/mol
Exact Mass408.03
IUPAC Name[5-(3-methylsulfonyl-5-pyridin-3-ylphenyl)sulfonylthiophen-2-yl]methanamine
SMILESCS(=O)(=O)c1cc(-c2cccnc2)cc(S(=O)(=O)c2ccc(CN)s2)c1
InChIInChI=1S/C17H16N2O4S3/c1-25(20,21)15-7-13(12-3-2-6-19-11-12)8-16(9-15)26(22,23)17-5-4-14(10-18)24-17/h2-9,11H,10,18H2,1H3
InChIKeyVIHMOJVYFRPWEY-UHFFFAOYSA-N
XLogP2.51
TPSA107.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(3-methylsulfonyl-5-pyridin-3-ylphenyl)sulfonylthiophen-2-yl]methanamine?
The IUPAC name of [5-(3-methylsulfonyl-5-pyridin-3-ylphenyl)sulfonylthiophen-2-yl]methanamine (CID 130344906) is [5-(3-methylsulfonyl-5-pyridin-3-ylphenyl)sulfonylthiophen-2-yl]methanamine.
What is the SMILES notation for [5-(3-methylsulfonyl-5-pyridin-3-ylphenyl)sulfonylthiophen-2-yl]methanamine?
The canonical SMILES for [5-(3-methylsulfonyl-5-pyridin-3-ylphenyl)sulfonylthiophen-2-yl]methanamine is CS(=O)(=O)c1cc(-c2cccnc2)cc(S(=O)(=O)c2ccc(CN)s2)c1.
What is the InChIKey of [5-(3-methylsulfonyl-5-pyridin-3-ylphenyl)sulfonylthiophen-2-yl]methanamine?
The InChIKey is VIHMOJVYFRPWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S3/c1-25(20,21)15-7-13(12-3-2-6-19-11-12)8-16(9-15)26(22,23)17-5-4-14(10-18)24-17/h2-9,11H,10,18H2,1H3.
What are the key properties of [5-(3-methylsulfonyl-5-pyridin-3-ylphenyl)sulfonylthiophen-2-yl]methanamine?
[5-(3-methylsulfonyl-5-pyridin-3-ylphenyl)sulfonylthiophen-2-yl]methanamine has a molecular weight of 408.53 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylsulfonyl-5-pyridin-3-ylphenyl)sulfonylthiophen-2-yl]methanamine is sourced from PubChem (CID 130344906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).