2-[butan-2-yl(ethyl)amino]-1-thiophen-2-ylethanone

C12H19NOS — CID 43795972

IUPAC2-[butan-2-yl(ethyl)amino]-1-thiophen-2-ylethanone
SMILESCCC(C)N(CC)CC(=O)c1cccs1
InChIInChI=1S/C12H19NOS/c1-4-10(3)13(5-2)9-11(14)12-7-6-8-15-12/h6-8,10H,4-5,9H2,1-3H3
InChIKeyPPPWSBLEHGFQDC-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.05
Rot. Bonds6

About 2-[butan-2-yl(ethyl)amino]-1-thiophen-2-ylethanone

2-[butan-2-yl(ethyl)amino]-1-thiophen-2-ylethanone (PubChem CID 43795972) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-[butan-2-yl(ethyl)amino]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[butan-2-yl(ethyl)amino]-1-thiophen-2-ylethanone
PubChem CID43795972
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-[butan-2-yl(ethyl)amino]-1-thiophen-2-ylethanone
SMILESCCC(C)N(CC)CC(=O)c1cccs1
InChIInChI=1S/C12H19NOS/c1-4-10(3)13(5-2)9-11(14)12-7-6-8-15-12/h6-8,10H,4-5,9H2,1-3H3
InChIKeyPPPWSBLEHGFQDC-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-oxo-2-thiophen-2-ylethyl)-propan-2-ylamino]acetamide
CID 60679972
4-[ethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one
CID 43792913
2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylethanone
CID 55010317
3-methyl-1-thiophen-2-ylpentan-1-one
CID 62621870
2-[methyl(2-methylpropyl)amino]-1-thiophen-2-ylethanone
CID 43795696
1-thiophen-2-ylpropan-1-one
CID 26179
2-[1-methoxypropan-2-yl(methyl)amino]-1-thiophen-2-ylethanone
CID 61451901
2-amino-N-methyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide
CID 77144663
3-[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]butanenitrile
CID 63223350
2-[butan-2-yl(ethyl)amino]-1-(2-chlorophenyl)ethanone
CID 43796012
N-[2-(diethylamino)propyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 110301508
2-[ethyl-(2-oxo-2-thiophen-2-ylethyl)amino]-N-methylacetamide
CID 62052835

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(ethyl)amino]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[butan-2-yl(ethyl)amino]-1-thiophen-2-ylethanone (CID 43795972) is 2-[butan-2-yl(ethyl)amino]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[butan-2-yl(ethyl)amino]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[butan-2-yl(ethyl)amino]-1-thiophen-2-ylethanone is CCC(C)N(CC)CC(=O)c1cccs1.
What is the InChIKey of 2-[butan-2-yl(ethyl)amino]-1-thiophen-2-ylethanone?
The InChIKey is PPPWSBLEHGFQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-4-10(3)13(5-2)9-11(14)12-7-6-8-15-12/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of 2-[butan-2-yl(ethyl)amino]-1-thiophen-2-ylethanone?
2-[butan-2-yl(ethyl)amino]-1-thiophen-2-ylethanone has a molecular weight of 225.36 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(ethyl)amino]-1-thiophen-2-ylethanone is sourced from PubChem (CID 43795972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).