1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one

C15H17NOS — CID 62053360

IUPAC1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one
SMILESCN(CC(=O)Cc1ccccc1)Cc1ccsc1
InChIInChI=1S/C15H17NOS/c1-16(10-14-7-8-18-12-14)11-15(17)9-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3
InChIKeyKGUTZSZRJQLHMB-UHFFFAOYSA-N
MW259.37 g/mol
LogP2.99
Rot. Bonds6

About 1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one

1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one (PubChem CID 62053360) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one
PubChem CID62053360
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one
SMILESCN(CC(=O)Cc1ccccc1)Cc1ccsc1
InChIInChI=1S/C15H17NOS/c1-16(10-14-7-8-18-12-14)11-15(17)9-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3
InChIKeyKGUTZSZRJQLHMB-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone
CID 10658035
1-(2-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
CID 62053567
2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 18197678
2-[methyl(thiophen-3-ylmethyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9054777
1-(2-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
CID 62052197
N-[(2-methylphenyl)methyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 8925841
1-(4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
CID 62051999
3-[2-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76908228
1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 62051935
1-[methyl(2-methylsulfonylethyl)amino]-3-phenylpropan-2-one
CID 79850568
4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol
CID 115883116
4-[methyl(thiophen-3-ylmethyl)amino]but-2-enoic acid
CID 76940528

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one?
The IUPAC name of 1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one (CID 62053360) is 1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one.
What is the SMILES notation for 1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one?
The canonical SMILES for 1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one is CN(CC(=O)Cc1ccccc1)Cc1ccsc1.
What is the InChIKey of 1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one?
The InChIKey is KGUTZSZRJQLHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-16(10-14-7-8-18-12-14)11-15(17)9-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3.
What are the key properties of 1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one?
1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one has a molecular weight of 259.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one is sourced from PubChem (CID 62053360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).