4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine

C10H13BrN2S — CID 115773933

IUPAC4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine
SMILESCc1cc(N2CCSCC2)ncc1Br
InChIInChI=1S/C10H13BrN2S/c1-8-6-10(12-7-9(8)11)13-2-4-14-5-3-13/h6-7H,2-5H2,1H3
InChIKeyNHAAOMWGQWGRDG-UHFFFAOYSA-N
MW273.20 g/mol
LogP2.71
Rot. Bonds1

About 4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine

4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine (PubChem CID 115773933) has the molecular formula C10H13BrN2S and a molecular weight of 273.20 g/mol. Its IUPAC name is 4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine.

Molecular Properties

Compound Name4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine
PubChem CID115773933
Molecular FormulaC10H13BrN2S
Molecular Weight273.20 g/mol
Exact Mass272.00
IUPAC Name4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine
SMILESCc1cc(N2CCSCC2)ncc1Br
InChIInChI=1S/C10H13BrN2S/c1-8-6-10(12-7-9(8)11)13-2-4-14-5-3-13/h6-7H,2-5H2,1H3
InChIKeyNHAAOMWGQWGRDG-UHFFFAOYSA-N
XLogP2.71
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5-bromo-4-methylpyridine
CID 817695
1-(3-Bromopyridin-2-yl)-4-methylpiperazine
CID 12203911
5-bromo-N,N-dimethylpyridin-2-amine
CID 3803041
4-Bromo-2-piperidinopyridine
CID 4172707
5-Bromo-N-methyl-N-(propan-2-yl)pyridin-2-amine
CID 61373027
N'-(5-Bromopyridin-2-yl)-N,N-dimethylformimidamide
CID 4288956
(E)-N'-(5-Bromo-3-methylpyridin-2-yl)-N,N-dimethylmethanimidamide
CID 2747636
5-bromo-N,N-diethylpyridin-2-amine
CID 39247549
3-Bromo-4-methylpyridin-2-amine
CID 14418043
5-Bromo-2-(4-methylpiperazin-1-yl)pyridine
CID 16414206
4-(5-Bromopyridin-2-yl)thiomorpholine
CID 17749962
4-Bromo-2-(4-methylpiperazino)pyridine
CID 45787917

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine?
The IUPAC name of 4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine (CID 115773933) is 4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine.
What is the SMILES notation for 4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine?
The canonical SMILES for 4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine is Cc1cc(N2CCSCC2)ncc1Br.
What is the InChIKey of 4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine?
The InChIKey is NHAAOMWGQWGRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2S/c1-8-6-10(12-7-9(8)11)13-2-4-14-5-3-13/h6-7H,2-5H2,1H3.
What are the key properties of 4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine?
4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine has a molecular weight of 273.20 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine is sourced from PubChem (CID 115773933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).