1-(4,5-dibromothiophen-2-yl)-N-morpholin-4-ylethane-1,2-diamine

C10H15Br2N3OS — CID 102839852

IUPAC1-(4,5-dibromothiophen-2-yl)-N-morpholin-4-ylethane-1,2-diamine
SMILESNCC(NN1CCOCC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H15Br2N3OS/c11-7-5-9(17-10(7)12)8(6-13)14-15-1-3-16-4-2-15/h5,8,14H,1-4,6,13H2
InChIKeySVVIMVLWPPNSRU-UHFFFAOYSA-N
MW385.13 g/mol
LogP2.11
Rot. Bonds4

About 1-(4,5-dibromothiophen-2-yl)-N-morpholin-4-ylethane-1,2-diamine

1-(4,5-dibromothiophen-2-yl)-N-morpholin-4-ylethane-1,2-diamine (PubChem CID 102839852) has the molecular formula C10H15Br2N3OS and a molecular weight of 385.13 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-N-morpholin-4-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-N-morpholin-4-ylethane-1,2-diamine
PubChem CID102839852
Molecular FormulaC10H15Br2N3OS
Molecular Weight385.13 g/mol
Exact Mass382.93
IUPAC Name1-(4,5-dibromothiophen-2-yl)-N-morpholin-4-ylethane-1,2-diamine
SMILESNCC(NN1CCOCC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H15Br2N3OS/c11-7-5-9(17-10(7)12)8(6-13)14-15-1-3-16-4-2-15/h5,8,14H,1-4,6,13H2
InChIKeySVVIMVLWPPNSRU-UHFFFAOYSA-N
XLogP2.11
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.13
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-morpholin-4-ylethane-1,2-diamine
CID 83017196
N-but-2-ynyl-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
CID 102839925
5-[[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]amino]pentan-1-ol
CID 107316823
3-(4,5-dibromothiophen-2-yl)-3-morpholin-4-ylpropanoic acid
CID 102844841
1-(1,3-benzodioxol-5-yl)-N-morpholin-4-ylethane-1,2-diamine
CID 83015045
2-(4,5-dibromothiophen-2-yl)-2-piperidin-1-ylethanamine
CID 102838136
1-(4,5-dibromothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 102839565
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-morpholin-4-ylethane-1,2-diamine
CID 83017210
N-(4-bromo-3-chlorophenyl)-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
CID 107619632
1-(4,5-dibromothiophen-2-yl)-N,N-dimethylethane-1,2-diamine
CID 102838170
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-morpholin-4-ylethane-1,2-diamine
CID 83011227
1-(4-bromo-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011981

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-morpholin-4-ylethane-1,2-diamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-morpholin-4-ylethane-1,2-diamine (CID 102839852) is 1-(4,5-dibromothiophen-2-yl)-N-morpholin-4-ylethane-1,2-diamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-N-morpholin-4-ylethane-1,2-diamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-N-morpholin-4-ylethane-1,2-diamine is NCC(NN1CCOCC1)c1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-N-morpholin-4-ylethane-1,2-diamine?
The InChIKey is SVVIMVLWPPNSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br2N3OS/c11-7-5-9(17-10(7)12)8(6-13)14-15-1-3-16-4-2-15/h5,8,14H,1-4,6,13H2.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-N-morpholin-4-ylethane-1,2-diamine?
1-(4,5-dibromothiophen-2-yl)-N-morpholin-4-ylethane-1,2-diamine has a molecular weight of 385.13 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-N-morpholin-4-ylethane-1,2-diamine is sourced from PubChem (CID 102839852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).