1-pyrrolidin-1-yl-2-(1-thiophen-2-ylethylamino)propan-1-one

C13H20N2OS — CID 43397992

IUPAC1-pyrrolidin-1-yl-2-(1-thiophen-2-ylethylamino)propan-1-one
SMILESCC(NC(C)c1cccs1)C(=O)N1CCCC1
InChIInChI=1S/C13H20N2OS/c1-10(12-6-5-9-17-12)14-11(2)13(16)15-7-3-4-8-15/h5-6,9-11,14H,3-4,7-8H2,1-2H3
InChIKeyDWJUXMRJKLOZRK-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.41
Rot. Bonds4

About 1-pyrrolidin-1-yl-2-(1-thiophen-2-ylethylamino)propan-1-one

1-pyrrolidin-1-yl-2-(1-thiophen-2-ylethylamino)propan-1-one (PubChem CID 43397992) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-(1-thiophen-2-ylethylamino)propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-(1-thiophen-2-ylethylamino)propan-1-one
PubChem CID43397992
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-pyrrolidin-1-yl-2-(1-thiophen-2-ylethylamino)propan-1-one
SMILESCC(NC(C)c1cccs1)C(=O)N1CCCC1
InChIInChI=1S/C13H20N2OS/c1-10(12-6-5-9-17-12)14-11(2)13(16)15-7-3-4-8-15/h5-6,9-11,14H,3-4,7-8H2,1-2H3
InChIKeyDWJUXMRJKLOZRK-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide
CID 43398665
N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]thiophene-2-carboxamide
CID 1263443
N-methyl-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide
CID 81408171
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethylamino]propan-1-one
CID 60676820
1-(azepan-1-yl)-2-[1-(furan-2-yl)ethylamino]propan-1-one
CID 43401218
[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] pyrrolidine-1-carbodithioate
CID 78510806
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-1-piperidin-1-ylpropan-1-one
CID 81383277
2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 112699088
N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 115578693
1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one
CID 60676626
1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propan-1-one
CID 81353078
1-piperidin-1-yl-2-(1-pyridin-3-ylethylamino)propan-1-one
CID 43396360

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-(1-thiophen-2-ylethylamino)propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-2-(1-thiophen-2-ylethylamino)propan-1-one (CID 43397992) is 1-pyrrolidin-1-yl-2-(1-thiophen-2-ylethylamino)propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-(1-thiophen-2-ylethylamino)propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-2-(1-thiophen-2-ylethylamino)propan-1-one is CC(NC(C)c1cccs1)C(=O)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-(1-thiophen-2-ylethylamino)propan-1-one?
The InChIKey is DWJUXMRJKLOZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10(12-6-5-9-17-12)14-11(2)13(16)15-7-3-4-8-15/h5-6,9-11,14H,3-4,7-8H2,1-2H3.
What are the key properties of 1-pyrrolidin-1-yl-2-(1-thiophen-2-ylethylamino)propan-1-one?
1-pyrrolidin-1-yl-2-(1-thiophen-2-ylethylamino)propan-1-one has a molecular weight of 252.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-(1-thiophen-2-ylethylamino)propan-1-one is sourced from PubChem (CID 43397992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).