N-[(5-bromofuran-2-yl)methyl]-2-thiomorpholin-4-ylethanamine

C11H17BrN2OS — CID 103527237

IUPACN-[(5-bromofuran-2-yl)methyl]-2-thiomorpholin-4-ylethanamine
SMILESBrc1ccc(CNCCN2CCSCC2)o1
InChIInChI=1S/C11H17BrN2OS/c12-11-2-1-10(15-11)9-13-3-4-14-5-7-16-8-6-14/h1-2,13H,3-9H2
InChIKeyUPZAXRLQYJMDGA-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.18
Rot. Bonds5

About N-[(5-bromofuran-2-yl)methyl]-2-thiomorpholin-4-ylethanamine

N-[(5-bromofuran-2-yl)methyl]-2-thiomorpholin-4-ylethanamine (PubChem CID 103527237) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-2-thiomorpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-2-thiomorpholin-4-ylethanamine
PubChem CID103527237
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-2-thiomorpholin-4-ylethanamine
SMILESBrc1ccc(CNCCN2CCSCC2)o1
InChIInChI=1S/C11H17BrN2OS/c12-11-2-1-10(15-11)9-13-3-4-14-5-7-16-8-6-14/h1-2,13H,3-9H2
InChIKeyUPZAXRLQYJMDGA-UHFFFAOYSA-N
XLogP2.18
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]furan-2-sulfonamide
CID 106324582
N-(1,3-oxazol-5-ylmethyl)-2-thiomorpholin-4-ylethanamine
CID 106325045
N-[(1-methylpyrrol-3-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 115867950
N-[(5-iodofuran-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43767985
N-methyl-1-[5-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine
CID 62418650
3-bromo-4-[(2-thiomorpholin-4-ylethylamino)methyl]benzoic acid
CID 106325988
2-[5-[(2-thiomorpholin-4-ylethylamino)methyl]thiophen-2-yl]acetic acid
CID 106324613
N-[(5-bromofuran-2-yl)methyl]-2-cyclopentylethanamine
CID 60732893
6-[(2-thiomorpholin-4-ylethylamino)methyl]pyridine-2-carboxylic acid
CID 106325986
3-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylpropanamide
CID 60926484
methyl 3-bromo-4-[(2-thiomorpholin-4-ylethylamino)methyl]benzoate
CID 106325557
2-[(5-bromofuran-2-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 115745353

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-2-thiomorpholin-4-ylethanamine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-2-thiomorpholin-4-ylethanamine (CID 103527237) is N-[(5-bromofuran-2-yl)methyl]-2-thiomorpholin-4-ylethanamine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-2-thiomorpholin-4-ylethanamine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-2-thiomorpholin-4-ylethanamine is Brc1ccc(CNCCN2CCSCC2)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-2-thiomorpholin-4-ylethanamine?
The InChIKey is UPZAXRLQYJMDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c12-11-2-1-10(15-11)9-13-3-4-14-5-7-16-8-6-14/h1-2,13H,3-9H2.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-2-thiomorpholin-4-ylethanamine?
N-[(5-bromofuran-2-yl)methyl]-2-thiomorpholin-4-ylethanamine has a molecular weight of 305.24 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-2-thiomorpholin-4-ylethanamine is sourced from PubChem (CID 103527237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).