3-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one

C11H15NOS — CID 82395020

IUPAC3-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one
SMILESNC(CC1CC1)C(=O)Cc1cccs1
InChIInChI=1S/C11H15NOS/c12-10(6-8-3-4-8)11(13)7-9-2-1-5-14-9/h1-2,5,8,10H,3-4,6-7,12H2
InChIKeyCIRHPPPNJSCPHM-UHFFFAOYSA-N
MW209.31 g/mol
LogP1.99
Rot. Bonds5

About 3-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one

3-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one (PubChem CID 82395020) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one
PubChem CID82395020
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name3-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one
SMILESNC(CC1CC1)C(=O)Cc1cccs1
InChIInChI=1S/C11H15NOS/c12-10(6-8-3-4-8)11(13)7-9-2-1-5-14-9/h1-2,5,8,10H,3-4,6-7,12H2
InChIKeyCIRHPPPNJSCPHM-UHFFFAOYSA-N
XLogP1.99
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-1-methoxy-3-thiophen-2-ylpropan-2-one
CID 116750876
1-cyclohexyl-2-thiophen-2-ylethanone
CID 61056881
1-[4-(1-aminoethyl)piperidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119519452
1-cycloheptyl-3-thiophen-2-ylpropan-2-amine
CID 114458094
3-methoxy-1-thiophen-2-ylbutan-2-one
CID 79616178
ethyl (2R)-2-hydroxy-3-oxo-4-thiophen-2-ylbutanoate
CID 100936986
1-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one
CID 116601649
1-(thian-4-yl)-3-thiophen-2-ylpropan-2-amine
CID 105134176
1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119411974
2-amino-3-cyclopropyl-1-phenylpropan-1-one
CID 82404437
1-cyclohexyl-4-thiophen-2-ylbutan-2-amine
CID 115860772
N-(1-aminoethyl)-2-thiophen-2-ylacetamide
CID 173143442

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one?
The IUPAC name of 3-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one (CID 82395020) is 3-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one.
What is the SMILES notation for 3-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one?
The canonical SMILES for 3-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one is NC(CC1CC1)C(=O)Cc1cccs1.
What is the InChIKey of 3-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one?
The InChIKey is CIRHPPPNJSCPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c12-10(6-8-3-4-8)11(13)7-9-2-1-5-14-9/h1-2,5,8,10H,3-4,6-7,12H2.
What are the key properties of 3-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one?
3-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one has a molecular weight of 209.31 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one is sourced from PubChem (CID 82395020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).