[5-(3-methylsulfonyl-5-pyridin-4-ylphenyl)sulfonylthiophen-2-yl]methanamine

C17H16N2O4S3 — CID 130344810

IUPAC[5-(3-methylsulfonyl-5-pyridin-4-ylphenyl)sulfonylthiophen-2-yl]methanamine
SMILESCS(=O)(=O)c1cc(-c2ccncc2)cc(S(=O)(=O)c2ccc(CN)s2)c1
InChIInChI=1S/C17H16N2O4S3/c1-25(20,21)15-8-13(12-4-6-19-7-5-12)9-16(10-15)26(22,23)17-3-2-14(11-18)24-17/h2-10H,11,18H2,1H3
InChIKeyRWIQPJMRFMSPLU-UHFFFAOYSA-N
MW408.53 g/mol
LogP2.51
Rot. Bonds5

About [5-(3-methylsulfonyl-5-pyridin-4-ylphenyl)sulfonylthiophen-2-yl]methanamine

[5-(3-methylsulfonyl-5-pyridin-4-ylphenyl)sulfonylthiophen-2-yl]methanamine (PubChem CID 130344810) has the molecular formula C17H16N2O4S3 and a molecular weight of 408.53 g/mol. Its IUPAC name is [5-(3-methylsulfonyl-5-pyridin-4-ylphenyl)sulfonylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methylsulfonyl-5-pyridin-4-ylphenyl)sulfonylthiophen-2-yl]methanamine
PubChem CID130344810
Molecular FormulaC17H16N2O4S3
Molecular Weight408.53 g/mol
Exact Mass408.03
IUPAC Name[5-(3-methylsulfonyl-5-pyridin-4-ylphenyl)sulfonylthiophen-2-yl]methanamine
SMILESCS(=O)(=O)c1cc(-c2ccncc2)cc(S(=O)(=O)c2ccc(CN)s2)c1
InChIInChI=1S/C17H16N2O4S3/c1-25(20,21)15-8-13(12-4-6-19-7-5-12)9-16(10-15)26(22,23)17-3-2-14(11-18)24-17/h2-10H,11,18H2,1H3
InChIKeyRWIQPJMRFMSPLU-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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Related Compounds

trans-(1S,2R)-N-methyl-1-pyridin-3-yl-2-[2-(thiophen-2-ylsulfonylamino)ethyl]cyclohexane-1-carbothioamide
CID 10047940
N-Methyl-1-(1-{[3-(methylsulfonyl)phenyl]sulfonyl}-5-phenyl-1H-pyrrol-3-yl)methanamine hydrochloride
CID 57522145
N-Methyl-1-[5-phenyl-1-(2-thienylsulfonyl)-1H-pyrrol-3-yl]methanamine hydrochloride
CID 57522260
N-Methyl-1-[5-phenyl-1-(3-thienylsulfonyl)-1H-pyrrol-3-yl]methanamine hydrochloride
CID 57522379
[5-(4-Pyridin-4-yl-3-pyridinyl)thiophen-2-yl]methanamine;trihydrochloride
CID 145952024
(5-(4-Ethylpyridin-3-yl)thiophen-2-yl)methanamine dihydrochloride
CID 145957229
[5-(4-Propyl-3-pyridinyl)thiophen-2-yl]methanamine;dihydrochloride
CID 145962920
4-[4-[(Pyridin-2-ylmethylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45261834
4-[2-[(Pyridin-2-ylmethylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45265045
[5-(4-Phenyl-3-pyridinyl)thiophen-2-yl]methanamine;dihydrochloride
CID 145972420
[5-(4-Methyl-3-pyridinyl)thiophen-2-yl]methanamine;dihydrochloride
CID 145974067
N-[[5-(6-amino-3-pyridinyl)thiophen-2-yl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
CID 89665048

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylsulfonyl-5-pyridin-4-ylphenyl)sulfonylthiophen-2-yl]methanamine?
The IUPAC name of [5-(3-methylsulfonyl-5-pyridin-4-ylphenyl)sulfonylthiophen-2-yl]methanamine (CID 130344810) is [5-(3-methylsulfonyl-5-pyridin-4-ylphenyl)sulfonylthiophen-2-yl]methanamine.
What is the SMILES notation for [5-(3-methylsulfonyl-5-pyridin-4-ylphenyl)sulfonylthiophen-2-yl]methanamine?
The canonical SMILES for [5-(3-methylsulfonyl-5-pyridin-4-ylphenyl)sulfonylthiophen-2-yl]methanamine is CS(=O)(=O)c1cc(-c2ccncc2)cc(S(=O)(=O)c2ccc(CN)s2)c1.
What is the InChIKey of [5-(3-methylsulfonyl-5-pyridin-4-ylphenyl)sulfonylthiophen-2-yl]methanamine?
The InChIKey is RWIQPJMRFMSPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S3/c1-25(20,21)15-8-13(12-4-6-19-7-5-12)9-16(10-15)26(22,23)17-3-2-14(11-18)24-17/h2-10H,11,18H2,1H3.
What are the key properties of [5-(3-methylsulfonyl-5-pyridin-4-ylphenyl)sulfonylthiophen-2-yl]methanamine?
[5-(3-methylsulfonyl-5-pyridin-4-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-4-ylphenyl)sulfonylthiophen-2-yl]methanamine is sourced from PubChem (CID 130344810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).