N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylpropanamide

C12H20N2OS — CID 16931186

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(c1ccsc1)N(C)C
InChIInChI=1S/C12H20N2OS/c1-9(2)12(15)13-7-11(14(3)4)10-5-6-16-8-10/h5-6,8-9,11H,7H2,1-4H3,(H,13,15)
InChIKeyZAWIORCDIZQMDB-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.12
Rot. Bonds5

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylpropanamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylpropanamide (PubChem CID 16931186) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylpropanamide
PubChem CID16931186
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(c1ccsc1)N(C)C
InChIInChI=1S/C12H20N2OS/c1-9(2)12(15)13-7-11(14(3)4)10-5-6-16-8-10/h5-6,8-9,11H,7H2,1-4H3,(H,13,15)
InChIKeyZAWIORCDIZQMDB-UHFFFAOYSA-N
XLogP2.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylpropanamide (CID 16931186) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylpropanamide is CC(C)C(=O)NCC(c1ccsc1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylpropanamide?
The InChIKey is ZAWIORCDIZQMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(2)12(15)13-7-11(14(3)4)10-5-6-16-8-10/h5-6,8-9,11H,7H2,1-4H3,(H,13,15).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylpropanamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylpropanamide has a molecular weight of 240.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylpropanamide is sourced from PubChem (CID 16931186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).