1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one

C11H17NOS — CID 62040161

IUPAC1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one
SMILESCCC(=O)CN(C)C(C)c1cccs1
InChIInChI=1S/C11H17NOS/c1-4-10(13)8-12(3)9(2)11-6-5-7-14-11/h5-7,9H,4,8H2,1-3H3
InChIKeySYYFFLSZZMVUNB-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.72
Rot. Bonds5

About 1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one

1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one (PubChem CID 62040161) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one.

Molecular Properties

Compound Name1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one
PubChem CID62040161
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one
SMILESCCC(=O)CN(C)C(C)c1cccs1
InChIInChI=1S/C11H17NOS/c1-4-10(13)8-12(3)9(2)11-6-5-7-14-11/h5-7,9H,4,8H2,1-3H3
InChIKeySYYFFLSZZMVUNB-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropan-2-one
CID 62051873
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787
1-(4-ethylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone
CID 62052839
N-hydroxy-N-(1-thiophen-2-ylethyl)propanamide
CID 5061929
2-[methyl(1-thiophen-2-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 51271574
2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid
CID 65065392
4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one
CID 64696669
N-(4-chlorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 18124847
N-[(5-chlorothiophen-2-yl)methyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 47281346
4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid
CID 62214541
2-[methyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid
CID 65056388
3-[methyl(1-thiophen-2-ylethyl)amino]-2-phenylpropanoic acid
CID 63068999

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one?
The IUPAC name of 1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one (CID 62040161) is 1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one.
What is the SMILES notation for 1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one?
The canonical SMILES for 1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one is CCC(=O)CN(C)C(C)c1cccs1.
What is the InChIKey of 1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one?
The InChIKey is SYYFFLSZZMVUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-4-10(13)8-12(3)9(2)11-6-5-7-14-11/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one?
1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one has a molecular weight of 211.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one is sourced from PubChem (CID 62040161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).