2-[bis(2-hydroxyethyl)amino]-1-(5-bromothiophen-2-yl)ethanone

C10H14BrNO3S — CID 62051248

IUPAC2-[bis(2-hydroxyethyl)amino]-1-(5-bromothiophen-2-yl)ethanone
SMILESO=C(CN(CCO)CCO)c1ccc(Br)s1
InChIInChI=1S/C10H14BrNO3S/c11-10-2-1-9(16-10)8(15)7-12(3-5-13)4-6-14/h1-2,13-14H,3-7H2
InChIKeyHZNPMEOJLHANPH-UHFFFAOYSA-N
MW308.20 g/mol
LogP0.98
Rot. Bonds7

About 2-[bis(2-hydroxyethyl)amino]-1-(5-bromothiophen-2-yl)ethanone

2-[bis(2-hydroxyethyl)amino]-1-(5-bromothiophen-2-yl)ethanone (PubChem CID 62051248) has the molecular formula C10H14BrNO3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-1-(5-bromothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-1-(5-bromothiophen-2-yl)ethanone
PubChem CID62051248
Molecular FormulaC10H14BrNO3S
Molecular Weight308.20 g/mol
Exact Mass306.99
IUPAC Name2-[bis(2-hydroxyethyl)amino]-1-(5-bromothiophen-2-yl)ethanone
SMILESO=C(CN(CCO)CCO)c1ccc(Br)s1
InChIInChI=1S/C10H14BrNO3S/c11-10-2-1-9(16-10)8(15)7-12(3-5-13)4-6-14/h1-2,13-14H,3-7H2
InChIKeyHZNPMEOJLHANPH-UHFFFAOYSA-N
XLogP0.98
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]-1-(5-bromothiophen-2-yl)ethanone?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-1-(5-bromothiophen-2-yl)ethanone (CID 62051248) is 2-[bis(2-hydroxyethyl)amino]-1-(5-bromothiophen-2-yl)ethanone.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-1-(5-bromothiophen-2-yl)ethanone?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-1-(5-bromothiophen-2-yl)ethanone is O=C(CN(CCO)CCO)c1ccc(Br)s1.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-1-(5-bromothiophen-2-yl)ethanone?
The InChIKey is HZNPMEOJLHANPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S/c11-10-2-1-9(16-10)8(15)7-12(3-5-13)4-6-14/h1-2,13-14H,3-7H2.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-1-(5-bromothiophen-2-yl)ethanone?
2-[bis(2-hydroxyethyl)amino]-1-(5-bromothiophen-2-yl)ethanone has a molecular weight of 308.20 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-1-(5-bromothiophen-2-yl)ethanone is sourced from PubChem (CID 62051248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).