3-bromo-N-(1,1-dioxothian-4-yl)-5-methylpyridin-2-amine

C11H15BrN2O2S — CID 105366729

IUPAC3-bromo-N-(1,1-dioxothian-4-yl)-5-methylpyridin-2-amine
SMILESCc1cnc(NC2CCS(=O)(=O)CC2)c(Br)c1
InChIInChI=1S/C11H15BrN2O2S/c1-8-6-10(12)11(13-7-8)14-9-2-4-17(15,16)5-3-9/h6-7,9H,2-5H2,1H3,(H,13,14)
InChIKeyMZRMLVHSLCPHJC-UHFFFAOYSA-N
MW319.22 g/mol
LogP2.14
Rot. Bonds2

About 3-bromo-N-(1,1-dioxothian-4-yl)-5-methylpyridin-2-amine

3-bromo-N-(1,1-dioxothian-4-yl)-5-methylpyridin-2-amine (PubChem CID 105366729) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is 3-bromo-N-(1,1-dioxothian-4-yl)-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(1,1-dioxothian-4-yl)-5-methylpyridin-2-amine
PubChem CID105366729
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name3-bromo-N-(1,1-dioxothian-4-yl)-5-methylpyridin-2-amine
SMILESCc1cnc(NC2CCS(=O)(=O)CC2)c(Br)c1
InChIInChI=1S/C11H15BrN2O2S/c1-8-6-10(12)11(13-7-8)14-9-2-4-17(15,16)5-3-9/h6-7,9H,2-5H2,1H3,(H,13,14)
InChIKeyMZRMLVHSLCPHJC-UHFFFAOYSA-N
XLogP2.14
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-cyclobutyl-5-methylpyridin-2-amine
CID 105366896
5-bromo-2-N-(1,1-dioxothian-4-yl)pyridine-2,3-diamine
CID 61227510
N-(3-bromo-5-methyl-2-pyridinyl)azepan-3-amine
CID 105367341
ethyl 4-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 105366689
5-bromo-4-N-(1,1-dioxothian-4-yl)pyrimidine-2,4-diamine
CID 80789953
3-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-2,6-dione
CID 105367016
3-N-(1,1-dioxothian-4-yl)-5-methylbenzene-1,3-diamine
CID 112647228
5-bromo-3-chloro-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
CID 103579980
N-(1,1-dioxothian-4-yl)-6-methyl-4-(trifluoromethyl)pyridazin-3-amine
CID 167956956
N-(1,1-dioxothian-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80898941
5-bromo-4-N-(1,1-dioxothian-4-yl)pyrimidine-4,6-diamine
CID 114072004
3-bromo-2-N-cyclobutylpyridine-2,5-diamine
CID 79535634

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1,1-dioxothian-4-yl)-5-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(1,1-dioxothian-4-yl)-5-methylpyridin-2-amine (CID 105366729) is 3-bromo-N-(1,1-dioxothian-4-yl)-5-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(1,1-dioxothian-4-yl)-5-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(1,1-dioxothian-4-yl)-5-methylpyridin-2-amine is Cc1cnc(NC2CCS(=O)(=O)CC2)c(Br)c1.
What is the InChIKey of 3-bromo-N-(1,1-dioxothian-4-yl)-5-methylpyridin-2-amine?
The InChIKey is MZRMLVHSLCPHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c1-8-6-10(12)11(13-7-8)14-9-2-4-17(15,16)5-3-9/h6-7,9H,2-5H2,1H3,(H,13,14).
What are the key properties of 3-bromo-N-(1,1-dioxothian-4-yl)-5-methylpyridin-2-amine?
3-bromo-N-(1,1-dioxothian-4-yl)-5-methylpyridin-2-amine has a molecular weight of 319.22 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1,1-dioxothian-4-yl)-5-methylpyridin-2-amine is sourced from PubChem (CID 105366729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).