1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-one

C14H22BrNOS — CID 79063919

IUPAC1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-one
SMILESCCN(CC)C(C)(CC)C(=O)Cc1ccc(Br)s1
InChIInChI=1S/C14H22BrNOS/c1-5-14(4,16(6-2)7-3)12(17)10-11-8-9-13(15)18-11/h8-9H,5-7,10H2,1-4H3
InChIKeyLAQXZQATCQCPTA-UHFFFAOYSA-N
MW332.31 g/mol
LogP4.13
Rot. Bonds7

About 1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-one

1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-one (PubChem CID 79063919) has the molecular formula C14H22BrNOS and a molecular weight of 332.31 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-one.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-one
PubChem CID79063919
Molecular FormulaC14H22BrNOS
Molecular Weight332.31 g/mol
Exact Mass331.06
IUPAC Name1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-one
SMILESCCN(CC)C(C)(CC)C(=O)Cc1ccc(Br)s1
InChIInChI=1S/C14H22BrNOS/c1-5-14(4,16(6-2)7-3)12(17)10-11-8-9-13(15)18-11/h8-9H,5-7,10H2,1-4H3
InChIKeyLAQXZQATCQCPTA-UHFFFAOYSA-N
XLogP4.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(5-bromothiophen-2-yl)-3,3,4-trimethylpentan-2-one
CID 116573509
1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-ethylpentan-2-ol
CID 79061202
1-(5-bromothiophen-2-yl)-4-ethylhex-3-en-2-one
CID 103458766
2-[(5-bromothiophen-2-yl)methyl]-2-methylbutanoic acid
CID 62740253
1-(5-bromothiophen-2-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine
CID 79068987
2-(5-bromothiophen-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 111485902
N-[3-(aminomethyl)pentan-3-yl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride
CID 119572064
4-amino-1-(5-bromothiophen-2-yl)-5,5-dimethylhexan-2-one
CID 116608350
2-[(5-bromothiophen-2-yl)methylamino]-2-methylbutanoic acid
CID 78969414
(Z)-1-(5-bromothiophen-2-yl)-3-ethylpent-3-en-2-one
CID 103447381
3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107980280
N-(1-aminopropan-2-yl)-2-(5-bromothiophen-2-yl)-N-methylacetamide;hydrochloride
CID 119585249

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-one?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-one (CID 79063919) is 1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-one.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-one?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-one is CCN(CC)C(C)(CC)C(=O)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-one?
The InChIKey is LAQXZQATCQCPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNOS/c1-5-14(4,16(6-2)7-3)12(17)10-11-8-9-13(15)18-11/h8-9H,5-7,10H2,1-4H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-one?
1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-one has a molecular weight of 332.31 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-one is sourced from PubChem (CID 79063919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).