2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone

C11H16N2O2S — CID 115287047

IUPAC2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
SMILESNC(C(=O)N1CCCC1CO)c1cccs1
InChIInChI=1S/C11H16N2O2S/c12-10(9-4-2-6-16-9)11(15)13-5-1-3-8(13)7-14/h2,4,6,8,10,14H,1,3,5,7,12H2
InChIKeyAFVPMLGXFSQXQQ-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.73
Rot. Bonds3

About 2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone

2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 115287047) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID115287047
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
SMILESNC(C(=O)N1CCCC1CO)c1cccs1
InChIInChI=1S/C11H16N2O2S/c12-10(9-4-2-6-16-9)11(15)13-5-1-3-8(13)7-14/h2,4,6,8,10,14H,1,3,5,7,12H2
InChIKeyAFVPMLGXFSQXQQ-UHFFFAOYSA-N
XLogP0.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
CID 115287116
methyl 2-[1-(2-amino-2-thiophen-2-ylacetyl)piperidin-2-yl]acetate
CID 115286826
(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 61409346
2,2-diamino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 126732263
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 39086648
2-[4-(2-amino-2-thiophen-2-ylacetyl)thiomorpholin-3-yl]acetic acid
CID 115287462
methyl 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-2-carboxylate
CID 115286566
2-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
CID 115286096
(2R)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 107218086
1-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 122137801
1-(2-amino-2-thiophen-2-ylacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 115286723
2-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 115286722

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone (CID 115287047) is 2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone is NC(C(=O)N1CCCC1CO)c1cccs1.
What is the InChIKey of 2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is AFVPMLGXFSQXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c12-10(9-4-2-6-16-9)11(15)13-5-1-3-8(13)7-14/h2,4,6,8,10,14H,1,3,5,7,12H2.
What are the key properties of 2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone?
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 240.33 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 115287047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).