2-amino-1-(4-propylpiperazin-1-yl)-2-thiophen-2-ylethanone

C13H21N3OS — CID 115285943

IUPAC2-amino-1-(4-propylpiperazin-1-yl)-2-thiophen-2-ylethanone
SMILESCCCN1CCN(C(=O)C(N)c2cccs2)CC1
InChIInChI=1S/C13H21N3OS/c1-2-5-15-6-8-16(9-7-15)13(17)12(14)11-4-3-10-18-11/h3-4,10,12H,2,5-9,14H2,1H3
InChIKeyOSVZGFFXGXVTPV-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.30
Rot. Bonds4

About 2-amino-1-(4-propylpiperazin-1-yl)-2-thiophen-2-ylethanone

2-amino-1-(4-propylpiperazin-1-yl)-2-thiophen-2-ylethanone (PubChem CID 115285943) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-amino-1-(4-propylpiperazin-1-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-amino-1-(4-propylpiperazin-1-yl)-2-thiophen-2-ylethanone
PubChem CID115285943
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-amino-1-(4-propylpiperazin-1-yl)-2-thiophen-2-ylethanone
SMILESCCCN1CCN(C(=O)C(N)c2cccs2)CC1
InChIInChI=1S/C13H21N3OS/c1-2-5-15-6-8-16(9-7-15)13(17)12(14)11-4-3-10-18-11/h3-4,10,12H,2,5-9,14H2,1H3
InChIKeyOSVZGFFXGXVTPV-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2-amino-2-thiophen-2-ylacetyl)piperazine-1-carboxylate
CID 115286815
1-[4-(2-amino-2-thiophen-2-ylacetyl)piperazin-1-yl]-3-methylbutan-1-one
CID 115286671
2-amino-1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 115286554
2-(4-propylpiperazin-1-yl)-1-thiophen-2-ylethanamine
CID 115287657
2-amino-2-(4-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
CID 106151658
2-amino-1-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 113279250
2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone
CID 113279080
2-amino-1-(1,4-thiazepan-4-yl)-2-thiophen-2-ylethanone
CID 115287048
1-(2-amino-2-thiophen-2-ylacetyl)-N-methylpiperidine-4-carboxamide
CID 115286098
1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-2-propylpentan-1-one
CID 90603359
2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone
CID 11232518
2-amino-1-(4-tert-butylazepan-1-yl)-2-thiophen-2-ylethanone
CID 115287351

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-propylpiperazin-1-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 2-amino-1-(4-propylpiperazin-1-yl)-2-thiophen-2-ylethanone (CID 115285943) is 2-amino-1-(4-propylpiperazin-1-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 2-amino-1-(4-propylpiperazin-1-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 2-amino-1-(4-propylpiperazin-1-yl)-2-thiophen-2-ylethanone is CCCN1CCN(C(=O)C(N)c2cccs2)CC1.
What is the InChIKey of 2-amino-1-(4-propylpiperazin-1-yl)-2-thiophen-2-ylethanone?
The InChIKey is OSVZGFFXGXVTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-5-15-6-8-16(9-7-15)13(17)12(14)11-4-3-10-18-11/h3-4,10,12H,2,5-9,14H2,1H3.
What are the key properties of 2-amino-1-(4-propylpiperazin-1-yl)-2-thiophen-2-ylethanone?
2-amino-1-(4-propylpiperazin-1-yl)-2-thiophen-2-ylethanone has a molecular weight of 267.40 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-propylpiperazin-1-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 115285943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).