5-bromo-6-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine

C14H19BrN2OS — CID 133451315

IUPAC5-bromo-6-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine
SMILESCc1nc(NC2CCOC3(CCSC3)C2)ccc1Br
InChIInChI=1S/C14H19BrN2OS/c1-10-12(15)2-3-13(16-10)17-11-4-6-18-14(8-11)5-7-19-9-14/h2-3,11H,4-9H2,1H3,(H,16,17)
InChIKeyCLEHHJMXYTXDFY-UHFFFAOYSA-N
MW343.29 g/mol
LogP3.62
Rot. Bonds2

About 5-bromo-6-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine

5-bromo-6-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine (PubChem CID 133451315) has the molecular formula C14H19BrN2OS and a molecular weight of 343.29 g/mol. Its IUPAC name is 5-bromo-6-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine
PubChem CID133451315
Molecular FormulaC14H19BrN2OS
Molecular Weight343.29 g/mol
Exact Mass342.04
IUPAC Name5-bromo-6-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine
SMILESCc1nc(NC2CCOC3(CCSC3)C2)ccc1Br
InChIInChI=1S/C14H19BrN2OS/c1-10-12(15)2-3-13(16-10)17-11-4-6-18-14(8-11)5-7-19-9-14/h2-3,11H,4-9H2,1H3,(H,16,17)
InChIKeyCLEHHJMXYTXDFY-UHFFFAOYSA-N
XLogP3.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897787
N-(3-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897455
5-bromo-N-[(5R,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]pyrimidin-2-amine
CID 97235132
N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazin-2-amine
CID 75482481
N-(2-bromo-6-fluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107599402
N-(2-fluoro-5-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897505
N-(4-bromo-2-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 81293067
N-(4-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897657
N-(4-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897869
N-(4-methoxy-2-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903734
N-(4-bromo-2,6-dimethylphenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79902156
N-(2-tert-butylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79900190

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-6-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine (CID 133451315) is 5-bromo-6-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-6-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-6-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine is Cc1nc(NC2CCOC3(CCSC3)C2)ccc1Br.
What is the InChIKey of 5-bromo-6-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine?
The InChIKey is CLEHHJMXYTXDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2OS/c1-10-12(15)2-3-13(16-10)17-11-4-6-18-14(8-11)5-7-19-9-14/h2-3,11H,4-9H2,1H3,(H,16,17).
What are the key properties of 5-bromo-6-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine?
5-bromo-6-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine has a molecular weight of 343.29 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine is sourced from PubChem (CID 133451315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).