1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one

C13H20ClNOS — CID 43796847

IUPAC1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one
SMILESCCC(CC)N(C)C(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H20ClNOS/c1-5-10(6-2)15(4)9(3)13(16)11-7-8-12(14)17-11/h7-10H,5-6H2,1-4H3
InChIKeyCXDCGKDVSAEYSM-UHFFFAOYSA-N
MW273.83 g/mol
LogP4.09
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one

1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one (PubChem CID 43796847) has the molecular formula C13H20ClNOS and a molecular weight of 273.83 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one
PubChem CID43796847
Molecular FormulaC13H20ClNOS
Molecular Weight273.83 g/mol
Exact Mass273.10
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one
SMILESCCC(CC)N(C)C(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H20ClNOS/c1-5-10(6-2)15(4)9(3)13(16)11-7-8-12(14)17-11/h7-10H,5-6H2,1-4H3
InChIKeyCXDCGKDVSAEYSM-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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Related Compounds

2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 43795957
2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 62051390
1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one
CID 112510682
1-(5-chlorothiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]propan-1-one
CID 62050574
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-ethylamino]-N-methylacetamide
CID 62051078
3-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]-N-methylpropanamide
CID 106916452
2-butan-2-ylsulfonyl-1-(5-chlorothiophen-2-yl)propan-1-one
CID 64644115
1-(5-chlorothiophen-2-yl)-2-(N-ethyl-2-methylanilino)propan-1-one
CID 43794159
1-(5-chlorothiophen-2-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]propan-1-one
CID 79485799
2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N,N-dimethylacetamide
CID 114233117
1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(methyl)amino]propan-1-one
CID 43794657

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one (CID 43796847) is 1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one is CCC(CC)N(C)C(C)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one?
The InChIKey is CXDCGKDVSAEYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNOS/c1-5-10(6-2)15(4)9(3)13(16)11-7-8-12(14)17-11/h7-10H,5-6H2,1-4H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one?
1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]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 1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one is sourced from PubChem (CID 43796847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).