4-[2-amino-1-(5-bromothiophen-2-yl)propyl]-N-methylmorpholine-3-carboxamide

C13H20BrN3O2S — CID 83106857

IUPAC4-[2-amino-1-(5-bromothiophen-2-yl)propyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(c1ccc(Br)s1)C(C)N
InChIInChI=1S/C13H20BrN3O2S/c1-8(15)12(10-3-4-11(14)20-10)17-5-6-19-7-9(17)13(18)16-2/h3-4,8-9,12H,5-7,15H2,1-2H3,(H,16,18)
InChIKeyIZZHKQWNTZURFA-UHFFFAOYSA-N
MW362.29 g/mol
LogP1.35
Rot. Bonds4

About 4-[2-amino-1-(5-bromothiophen-2-yl)propyl]-N-methylmorpholine-3-carboxamide

4-[2-amino-1-(5-bromothiophen-2-yl)propyl]-N-methylmorpholine-3-carboxamide (PubChem CID 83106857) has the molecular formula C13H20BrN3O2S and a molecular weight of 362.29 g/mol. Its IUPAC name is 4-[2-amino-1-(5-bromothiophen-2-yl)propyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-amino-1-(5-bromothiophen-2-yl)propyl]-N-methylmorpholine-3-carboxamide
PubChem CID83106857
Molecular FormulaC13H20BrN3O2S
Molecular Weight362.29 g/mol
Exact Mass361.05
IUPAC Name4-[2-amino-1-(5-bromothiophen-2-yl)propyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(c1ccc(Br)s1)C(C)N
InChIInChI=1S/C13H20BrN3O2S/c1-8(15)12(10-3-4-11(14)20-10)17-5-6-19-7-9(17)13(18)16-2/h3-4,8-9,12H,5-7,15H2,1-2H3,(H,16,18)
InChIKeyIZZHKQWNTZURFA-UHFFFAOYSA-N
XLogP1.35
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-1-thiophen-2-ylpropyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83098163
4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103671
4-(1-hydrazinyl-1-oxopropan-2-yl)-N-methylmorpholine-3-carboxamide
CID 83105404
4-(2-amino-1-phenylpropyl)-N-ethylmorpholine-3-carboxamide
CID 83097771
4-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylmorpholine-3-carboxamide
CID 83099710
4-(2-amino-1-thiophen-3-ylpropyl)morpholine-3-carboxamide
CID 83101539
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(5-bromothiophen-2-yl)propan-2-amine
CID 82747192
4-(3-amino-1,1,1-trifluoropentan-2-yl)-N-methylmorpholine-3-carboxamide
CID 83107069
N-[[1-[2-amino-1-(5-bromothiophen-2-yl)propyl]piperidin-4-yl]methyl]acetamide
CID 102736048
4-[2-amino-1-(2-methoxyphenyl)ethyl]-N-methylmorpholine-3-carboxamide
CID 83097793
4-(1-aminopentan-3-yl)-N-methylmorpholine-3-carboxamide
CID 83106233
[1-[2-amino-1-(5-bromothiophen-2-yl)propyl]azepan-2-yl]methanol
CID 116634141

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(5-bromothiophen-2-yl)propyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-amino-1-(5-bromothiophen-2-yl)propyl]-N-methylmorpholine-3-carboxamide (CID 83106857) is 4-[2-amino-1-(5-bromothiophen-2-yl)propyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-amino-1-(5-bromothiophen-2-yl)propyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-amino-1-(5-bromothiophen-2-yl)propyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1C(c1ccc(Br)s1)C(C)N.
What is the InChIKey of 4-[2-amino-1-(5-bromothiophen-2-yl)propyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is IZZHKQWNTZURFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2S/c1-8(15)12(10-3-4-11(14)20-10)17-5-6-19-7-9(17)13(18)16-2/h3-4,8-9,12H,5-7,15H2,1-2H3,(H,16,18).
What are the key properties of 4-[2-amino-1-(5-bromothiophen-2-yl)propyl]-N-methylmorpholine-3-carboxamide?
4-[2-amino-1-(5-bromothiophen-2-yl)propyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 362.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(5-bromothiophen-2-yl)propyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83106857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).