4-[ethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one

C13H21NOS — CID 43792913

IUPAC4-[ethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one
SMILESCCN(CCCC(=O)c1cccs1)C(C)C
InChIInChI=1S/C13H21NOS/c1-4-14(11(2)3)9-5-7-12(15)13-8-6-10-16-13/h6,8,10-11H,4-5,7,9H2,1-3H3
InChIKeyOANREJJKKJYFDU-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.44
Rot. Bonds7

About 4-[ethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one

4-[ethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one (PubChem CID 43792913) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 4-[ethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-[ethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one
PubChem CID43792913
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name4-[ethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one
SMILESCCN(CCCC(=O)c1cccs1)C(C)C
InChIInChI=1S/C13H21NOS/c1-4-14(11(2)3)9-5-7-12(15)13-8-6-10-16-13/h6,8,10-11H,4-5,7,9H2,1-3H3
InChIKeyOANREJJKKJYFDU-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropylmethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one
CID 54999752
N-[2-(diethylamino)propyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 110301508
2-[butan-2-yl(ethyl)amino]-1-thiophen-2-ylethanone
CID 43795972
4-[benzyl(ethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 60687710
4-(2-methylbutylsulfonyl)-1-thiophen-2-ylbutan-1-one
CID 107767773
4-butan-2-ylsulfonyl-1-thiophen-2-ylbutan-1-one
CID 64643546
4-[bis(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 60686397
N-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 67813674
2-[(2-oxo-2-thiophen-2-ylethyl)-propan-2-ylamino]acetamide
CID 60679972
2-[(4-oxo-4-thiophen-2-ylbutanoyl)-propan-2-ylamino]acetic acid
CID 120580833
N-butyl-N-methyl-5-oxo-5-thiophen-2-ylpentanamide
CID 110298043
5-hydroxy-1-thiophen-2-ylpentan-1-one
CID 102168662

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-[ethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one (CID 43792913) is 4-[ethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-[ethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-[ethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one is CCN(CCCC(=O)c1cccs1)C(C)C.
What is the InChIKey of 4-[ethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one?
The InChIKey is OANREJJKKJYFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-4-14(11(2)3)9-5-7-12(15)13-8-6-10-16-13/h6,8,10-11H,4-5,7,9H2,1-3H3.
What are the key properties of 4-[ethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one?
4-[ethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one has a molecular weight of 239.38 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 43792913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).