3-(bromomethyl)thiomorpholine

C5H10BrNS — CID 119096156

IUPAC3-(bromomethyl)thiomorpholine
SMILESBrCC1CSCCN1
InChIInChI=1S/C5H10BrNS/c6-3-5-4-8-2-1-7-5/h5,7H,1-4H2
InChIKeyDYTMNTAKVUCWAS-UHFFFAOYSA-N
MW196.11 g/mol
LogP1.09
Rot. Bonds1

About 3-(bromomethyl)thiomorpholine

3-(bromomethyl)thiomorpholine (PubChem CID 119096156) has the molecular formula C5H10BrNS and a molecular weight of 196.11 g/mol. Its IUPAC name is 3-(bromomethyl)thiomorpholine.

Molecular Properties

Compound Name3-(bromomethyl)thiomorpholine
PubChem CID119096156
Molecular FormulaC5H10BrNS
Molecular Weight196.11 g/mol
Exact Mass194.97
IUPAC Name3-(bromomethyl)thiomorpholine
SMILESBrCC1CSCCN1
InChIInChI=1S/C5H10BrNS/c6-3-5-4-8-2-1-7-5/h5,7H,1-4H2
InChIKeyDYTMNTAKVUCWAS-UHFFFAOYSA-N
XLogP1.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.11
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(thiomorpholin-3-ylmethyl)thiomorpholine
CID 68605296
1-cyclopropyl-N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)methanamine
CID 82916870
N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82916840
5-thiomorpholin-3-ylpentan-1-ol
CID 18958782
N-(2-thiomorpholin-3-ylethyl)cyclobutanamine
CID 66420156
3-[(4-ethylphenyl)methyl]thiomorpholine
CID 82286776
3-[(3-methylphenyl)methyl]thiomorpholine
CID 82283612
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
N-(2-thiomorpholin-3-ylethyl)butan-1-amine
CID 66422325
(4R)-3-(2-thiomorpholin-3-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 66421279
N-(1-cyclopropylethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935575
N-(2-methoxyethyl)-2-thiomorpholin-3-ylethanamine
CID 66420350

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)thiomorpholine?
The IUPAC name of 3-(bromomethyl)thiomorpholine (CID 119096156) is 3-(bromomethyl)thiomorpholine.
What is the SMILES notation for 3-(bromomethyl)thiomorpholine?
The canonical SMILES for 3-(bromomethyl)thiomorpholine is BrCC1CSCCN1.
What is the InChIKey of 3-(bromomethyl)thiomorpholine?
The InChIKey is DYTMNTAKVUCWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrNS/c6-3-5-4-8-2-1-7-5/h5,7H,1-4H2.
What are the key properties of 3-(bromomethyl)thiomorpholine?
3-(bromomethyl)thiomorpholine has a molecular weight of 196.11 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)thiomorpholine is sourced from PubChem (CID 119096156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).