5-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]pyridin-2-amine

C15H18BrN3O3S2 — CID 133373307

IUPAC5-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]pyridin-2-amine
SMILESCc1cc(Br)cnc1NCc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C15H18BrN3O3S2/c1-11-8-12(16)9-17-15(11)18-10-13-2-3-14(23-13)24(20,21)19-4-6-22-7-5-19/h2-3,8-9H,4-7,10H2,1H3,(H,17,18)
InChIKeyFJLVICFYCYNHAM-UHFFFAOYSA-N
MW432.37 g/mol
LogP2.85
Rot. Bonds5

About 5-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]pyridin-2-amine

5-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]pyridin-2-amine (PubChem CID 133373307) has the molecular formula C15H18BrN3O3S2 and a molecular weight of 432.37 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]pyridin-2-amine
PubChem CID133373307
Molecular FormulaC15H18BrN3O3S2
Molecular Weight432.37 g/mol
Exact Mass431.00
IUPAC Name5-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]pyridin-2-amine
SMILESCc1cc(Br)cnc1NCc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C15H18BrN3O3S2/c1-11-8-12(16)9-17-15(11)18-10-13-2-3-14(23-13)24(20,21)19-4-6-22-7-5-19/h2-3,8-9H,4-7,10H2,1H3,(H,17,18)
InChIKeyFJLVICFYCYNHAM-UHFFFAOYSA-N
XLogP2.85
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 34007003
4-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide
CID 16582822
5-bromo-3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
CID 133374222
5-bromo-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
CID 133373024
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
5-bromo-2-hydroxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 32741753
2-(3,4-dimethylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 41248003
1-(3,4-dimethylphenyl)-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111064253
5-bromo-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]pyridine-3-carboxamide
CID 53112382
N-[[5-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553878
2-methyl-1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-propylguanidine;hydroiodide
CID 111228132
3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 41311320

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]pyridin-2-amine (CID 133373307) is 5-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]pyridin-2-amine is Cc1cc(Br)cnc1NCc1ccc(S(=O)(=O)N2CCOCC2)s1.
What is the InChIKey of 5-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]pyridin-2-amine?
The InChIKey is FJLVICFYCYNHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O3S2/c1-11-8-12(16)9-17-15(11)18-10-13-2-3-14(23-13)24(20,21)19-4-6-22-7-5-19/h2-3,8-9H,4-7,10H2,1H3,(H,17,18).
What are the key properties of 5-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]pyridin-2-amine?
5-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]pyridin-2-amine has a molecular weight of 432.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 133373307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).