2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one

C13H20ClNOS — CID 43795957

IUPAC2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
SMILESCCC(C)N(CC)C(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H20ClNOS/c1-5-9(3)15(6-2)10(4)13(16)11-7-8-12(14)17-11/h7-10H,5-6H2,1-4H3
InChIKeyHCZNMWAZQGFVPE-UHFFFAOYSA-N
MW273.83 g/mol
LogP4.09
Rot. Bonds6

About 2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one

2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one (PubChem CID 43795957) has the molecular formula C13H20ClNOS and a molecular weight of 273.83 g/mol. Its IUPAC name is 2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
PubChem CID43795957
Molecular FormulaC13H20ClNOS
Molecular Weight273.83 g/mol
Exact Mass273.10
IUPAC Name2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
SMILESCCC(C)N(CC)C(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H20ClNOS/c1-5-9(3)15(6-2)10(4)13(16)11-7-8-12(14)17-11/h7-10H,5-6H2,1-4H3
InChIKeyHCZNMWAZQGFVPE-UHFFFAOYSA-N
XLogP4.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one?
The IUPAC name of 2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one (CID 43795957) is 2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one.
What is the SMILES notation for 2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one?
The canonical SMILES for 2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one is CCC(C)N(CC)C(C)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one?
The InChIKey is HCZNMWAZQGFVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNOS/c1-5-9(3)15(6-2)10(4)13(16)11-7-8-12(14)17-11/h7-10H,5-6H2,1-4H3.
What are the key properties of 2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one?
2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one has a molecular weight of 273.83 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one is sourced from PubChem (CID 43795957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).