1-(5-chlorothiophen-2-yl)-3-(diethylamino)propan-1-one

C11H16ClNOS — CID 79017302

IUPAC1-(5-chlorothiophen-2-yl)-3-(diethylamino)propan-1-one
SMILESCCN(CC)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNOS/c1-3-13(4-2)8-7-9(14)10-5-6-11(12)15-10/h5-6H,3-4,7-8H2,1-2H3
InChIKeyXPUNDNFWASVFCA-UHFFFAOYSA-N
MW245.77 g/mol
LogP3.32
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-3-(diethylamino)propan-1-one

1-(5-chlorothiophen-2-yl)-3-(diethylamino)propan-1-one (PubChem CID 79017302) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-(diethylamino)propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-(diethylamino)propan-1-one
PubChem CID79017302
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC Name1-(5-chlorothiophen-2-yl)-3-(diethylamino)propan-1-one
SMILESCCN(CC)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNOS/c1-3-13(4-2)8-7-9(14)10-5-6-11(12)15-10/h5-6H,3-4,7-8H2,1-2H3
InChIKeyXPUNDNFWASVFCA-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)pentane-1,4-dione
CID 82127105
N-butyl-4-(5-chlorothiophen-2-yl)-N-ethyl-4-oxobutanamide
CID 78785121
1-(5-chlorothiophen-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one
CID 46232018
4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one
CID 116571258
1-(5-chlorothiophen-2-yl)-4-(4-methylphenyl)butane-1,4-dione;ethane
CID 144689529
1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one
CID 112510682
4-(5-chlorothiophen-2-yl)-N-methoxy-4-oxobutanamide
CID 43054602
4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one
CID 116571571
2-[bis(3-methylbutyl)amino]-1-(5-chlorothiophen-2-yl)ethanone
CID 107870518
1-(5-chlorothiophen-2-yl)butane-1,3-dione
CID 43439048
1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-1-one
CID 103024754
1-(5-chlorothiophen-2-yl)-2-ethylsulfinylethanone
CID 64640067

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(diethylamino)propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(diethylamino)propan-1-one (CID 79017302) is 1-(5-chlorothiophen-2-yl)-3-(diethylamino)propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-(diethylamino)propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-(diethylamino)propan-1-one is CCN(CC)CCC(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-(diethylamino)propan-1-one?
The InChIKey is XPUNDNFWASVFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-3-13(4-2)8-7-9(14)10-5-6-11(12)15-10/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-(diethylamino)propan-1-one?
1-(5-chlorothiophen-2-yl)-3-(diethylamino)propan-1-one has a molecular weight of 245.77 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-(diethylamino)propan-1-one is sourced from PubChem (CID 79017302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).