1-cyclopropyl-2-[ethyl(thiophen-2-ylmethyl)amino]ethanone

C12H17NOS — CID 63914335

IUPAC1-cyclopropyl-2-[ethyl(thiophen-2-ylmethyl)amino]ethanone
SMILESCCN(CC(=O)C1CC1)Cc1cccs1
InChIInChI=1S/C12H17NOS/c1-2-13(8-11-4-3-7-15-11)9-12(14)10-5-6-10/h3-4,7,10H,2,5-6,8-9H2,1H3
InChIKeyUOXKNVUQZKIYAP-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.55
Rot. Bonds6

About 1-cyclopropyl-2-[ethyl(thiophen-2-ylmethyl)amino]ethanone

1-cyclopropyl-2-[ethyl(thiophen-2-ylmethyl)amino]ethanone (PubChem CID 63914335) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-cyclopropyl-2-[ethyl(thiophen-2-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[ethyl(thiophen-2-ylmethyl)amino]ethanone
PubChem CID63914335
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-cyclopropyl-2-[ethyl(thiophen-2-ylmethyl)amino]ethanone
SMILESCCN(CC(=O)C1CC1)Cc1cccs1
InChIInChI=1S/C12H17NOS/c1-2-13(8-11-4-3-7-15-11)9-12(14)10-5-6-10/h3-4,7,10H,2,5-6,8-9H2,1H3
InChIKeyUOXKNVUQZKIYAP-UHFFFAOYSA-N
XLogP2.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(thiophen-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 60681704
2-[ethyl(thiophen-2-ylmethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 62036551
4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 54928756
2-[ethyl(thiophen-2-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone
CID 62035966
4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]benzonitrile
CID 62035390
N-(2,6-difluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718062
N-(3-chloro-2-methylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8717964
1-(4-methylcyclohexyl)-4-thiophen-2-ylbutan-1-one
CID 105104895
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-phenylacetamide
CID 134001322
2-[1-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetic acid
CID 65497379
1-cyclobutyl-3-thiophen-2-ylpropan-1-one
CID 64982146
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CID 8717968

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[ethyl(thiophen-2-ylmethyl)amino]ethanone?
The IUPAC name of 1-cyclopropyl-2-[ethyl(thiophen-2-ylmethyl)amino]ethanone (CID 63914335) is 1-cyclopropyl-2-[ethyl(thiophen-2-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[ethyl(thiophen-2-ylmethyl)amino]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[ethyl(thiophen-2-ylmethyl)amino]ethanone is CCN(CC(=O)C1CC1)Cc1cccs1.
What is the InChIKey of 1-cyclopropyl-2-[ethyl(thiophen-2-ylmethyl)amino]ethanone?
The InChIKey is UOXKNVUQZKIYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-2-13(8-11-4-3-7-15-11)9-12(14)10-5-6-10/h3-4,7,10H,2,5-6,8-9H2,1H3.
What are the key properties of 1-cyclopropyl-2-[ethyl(thiophen-2-ylmethyl)amino]ethanone?
1-cyclopropyl-2-[ethyl(thiophen-2-ylmethyl)amino]ethanone has a molecular weight of 223.34 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[ethyl(thiophen-2-ylmethyl)amino]ethanone is sourced from PubChem (CID 63914335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).