2-pyrrolidin-2-yl-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride

C12H19ClN2OS — CID 119687090

IUPAC2-pyrrolidin-2-yl-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride
SMILESCC(NC(=O)CC1CCCN1)c1cccs1.Cl
InChIInChI=1S/C12H18N2OS.ClH/c1-9(11-5-3-7-16-11)14-12(15)8-10-4-2-6-13-10;/h3,5,7,9-10,13H,2,4,6,8H2,1H3,(H,14,15);1H
InChIKeyWBOHQQLGAXJPNK-UHFFFAOYSA-N
MW274.82 g/mol
LogP2.49
Rot. Bonds4

About 2-pyrrolidin-2-yl-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride

2-pyrrolidin-2-yl-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride (PubChem CID 119687090) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride
PubChem CID119687090
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC Name2-pyrrolidin-2-yl-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride
SMILESCC(NC(=O)CC1CCCN1)c1cccs1.Cl
InChIInChI=1S/C12H18N2OS.ClH/c1-9(11-5-3-7-16-11)14-12(15)8-10-4-2-6-13-10;/h3,5,7,9-10,13H,2,4,6,8H2,1H3,(H,14,15);1H
InChIKeyWBOHQQLGAXJPNK-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81409085
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 81409100
N-(pyrrolidin-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 71637827
N-[(1S)-1-(furan-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 81400921
2-pyrrolidin-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride
CID 119831525
N-[1-(4-phenylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119685566
2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 61366605
2-(2-thiophen-2-ylpropyl)pyrrolidine
CID 112715427
3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride
CID 119687075
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 102683153
N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 81404911
N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 81403939

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-pyrrolidin-2-yl-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride (CID 119687090) is 2-pyrrolidin-2-yl-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-2-yl-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-pyrrolidin-2-yl-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride is CC(NC(=O)CC1CCCN1)c1cccs1.Cl.
What is the InChIKey of 2-pyrrolidin-2-yl-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride?
The InChIKey is WBOHQQLGAXJPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS.ClH/c1-9(11-5-3-7-16-11)14-12(15)8-10-4-2-6-13-10;/h3,5,7,9-10,13H,2,4,6,8H2,1H3,(H,14,15);1H.
What are the key properties of 2-pyrrolidin-2-yl-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride?
2-pyrrolidin-2-yl-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride has a molecular weight of 274.82 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119687090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).