2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone

C14H15NOS — CID 10658035

IUPAC2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone
SMILESCN(CC(=O)c1ccsc1)Cc1ccccc1
InChIInChI=1S/C14H15NOS/c1-15(9-12-5-3-2-4-6-12)10-14(16)13-7-8-17-11-13/h2-8,11H,9-10H2,1H3
InChIKeyVEJAZKDHSYMSFV-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.06
Rot. Bonds5

About 2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone

2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone (PubChem CID 10658035) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone
PubChem CID10658035
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone
SMILESCN(CC(=O)c1ccsc1)Cc1ccccc1
InChIInChI=1S/C14H15NOS/c1-15(9-12-5-3-2-4-6-12)10-14(16)13-7-8-17-11-13/h2-8,11H,9-10H2,1H3
InChIKeyVEJAZKDHSYMSFV-UHFFFAOYSA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone?
The IUPAC name of 2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone (CID 10658035) is 2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone.
What is the SMILES notation for 2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone?
The canonical SMILES for 2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone is CN(CC(=O)c1ccsc1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone?
The InChIKey is VEJAZKDHSYMSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-15(9-12-5-3-2-4-6-12)10-14(16)13-7-8-17-11-13/h2-8,11H,9-10H2,1H3.
What are the key properties of 2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone?
2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone has a molecular weight of 245.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone is sourced from PubChem (CID 10658035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).