2-(ethylamino)-2-methyl-1-(2-methylthiophen-3-yl)propan-1-one

C11H17NOS — CID 102839400

IUPAC2-(ethylamino)-2-methyl-1-(2-methylthiophen-3-yl)propan-1-one
SMILESCCNC(C)(C)C(=O)c1ccsc1C
InChIInChI=1S/C11H17NOS/c1-5-12-11(3,4)10(13)9-6-7-14-8(9)2/h6-7,12H,5H2,1-4H3
InChIKeyJIMXCDHXKIBKMS-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.63
Rot. Bonds4

About 2-(ethylamino)-2-methyl-1-(2-methylthiophen-3-yl)propan-1-one

2-(ethylamino)-2-methyl-1-(2-methylthiophen-3-yl)propan-1-one (PubChem CID 102839400) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-1-(2-methylthiophen-3-yl)propan-1-one.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-1-(2-methylthiophen-3-yl)propan-1-one
PubChem CID102839400
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-(ethylamino)-2-methyl-1-(2-methylthiophen-3-yl)propan-1-one
SMILESCCNC(C)(C)C(=O)c1ccsc1C
InChIInChI=1S/C11H17NOS/c1-5-12-11(3,4)10(13)9-6-7-14-8(9)2/h6-7,12H,5H2,1-4H3
InChIKeyJIMXCDHXKIBKMS-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-1-(2-methylthiophen-3-yl)propan-1-one?
The IUPAC name of 2-(ethylamino)-2-methyl-1-(2-methylthiophen-3-yl)propan-1-one (CID 102839400) is 2-(ethylamino)-2-methyl-1-(2-methylthiophen-3-yl)propan-1-one.
What is the SMILES notation for 2-(ethylamino)-2-methyl-1-(2-methylthiophen-3-yl)propan-1-one?
The canonical SMILES for 2-(ethylamino)-2-methyl-1-(2-methylthiophen-3-yl)propan-1-one is CCNC(C)(C)C(=O)c1ccsc1C.
What is the InChIKey of 2-(ethylamino)-2-methyl-1-(2-methylthiophen-3-yl)propan-1-one?
The InChIKey is JIMXCDHXKIBKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-5-12-11(3,4)10(13)9-6-7-14-8(9)2/h6-7,12H,5H2,1-4H3.
What are the key properties of 2-(ethylamino)-2-methyl-1-(2-methylthiophen-3-yl)propan-1-one?
2-(ethylamino)-2-methyl-1-(2-methylthiophen-3-yl)propan-1-one has a molecular weight of 211.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-1-(2-methylthiophen-3-yl)propan-1-one is sourced from PubChem (CID 102839400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).