N-[(3R,4S)-4-cyclopropyl-1-(2-ethoxyethyl)pyrrolidin-3-yl]-2-thiophen-3-ylacetamide;hydrochloride

C17H27ClN2O2S — CID 154898027

IUPACN-[(3R,4S)-4-cyclopropyl-1-(2-ethoxyethyl)pyrrolidin-3-yl]-2-thiophen-3-ylacetamide;hydrochloride
SMILESCCOCCN1C[C@H](NC(=O)Cc2ccsc2)[C@@H](C2CC2)C1.Cl
InChIInChI=1S/C17H26N2O2S.ClH/c1-2-21-7-6-19-10-15(14-3-4-14)16(11-19)18-17(20)9-13-5-8-22-12-13;/h5,8,12,14-16H,2-4,6-7,9-11H2,1H3,(H,18,20);1H/t15-,16+;/m1./s1
InChIKeyLULOQADZDAGSHJ-RCPFAERMSA-N
MW358.94 g/mol
LogP2.58
Rot. Bonds8

About N-[(3R,4S)-4-cyclopropyl-1-(2-ethoxyethyl)pyrrolidin-3-yl]-2-thiophen-3-ylacetamide;hydrochloride

N-[(3R,4S)-4-cyclopropyl-1-(2-ethoxyethyl)pyrrolidin-3-yl]-2-thiophen-3-ylacetamide;hydrochloride (PubChem CID 154898027) has the molecular formula C17H27ClN2O2S and a molecular weight of 358.94 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-(2-ethoxyethyl)pyrrolidin-3-yl]-2-thiophen-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-(2-ethoxyethyl)pyrrolidin-3-yl]-2-thiophen-3-ylacetamide;hydrochloride
PubChem CID154898027
Molecular FormulaC17H27ClN2O2S
Molecular Weight358.94 g/mol
Exact Mass358.15
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-(2-ethoxyethyl)pyrrolidin-3-yl]-2-thiophen-3-ylacetamide;hydrochloride
SMILESCCOCCN1C[C@H](NC(=O)Cc2ccsc2)[C@@H](C2CC2)C1.Cl
InChIInChI=1S/C17H26N2O2S.ClH/c1-2-21-7-6-19-10-15(14-3-4-14)16(11-19)18-17(20)9-13-5-8-22-12-13;/h5,8,12,14-16H,2-4,6-7,9-11H2,1H3,(H,18,20);1H/t15-,16+;/m1./s1
InChIKeyLULOQADZDAGSHJ-RCPFAERMSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.94
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3S,4R)-4-cyclopropyl-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-methylsulfanylpropanamide
CID 133112293
N-(2-hydroxycyclohexyl)-2-thiophen-3-ylacetamide
CID 62359044
N-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide
CID 79111056
2-[(3S,4R)-3-cyclopropyl-4-[(2-phenylmethoxyacetyl)amino]pyrrolidin-1-yl]acetamide
CID 72904594
N-[2-(hydroxymethyl)cyclopentyl]-2-thiophen-3-ylacetamide
CID 103774160
(1-benzyl-4-cyclopropylpyrrolidin-3-yl)carbamic acid
CID 90406485
2-(4-aminophenyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide
CID 119887515
N-[2-(bromomethyl)cyclopentyl]-2-thiophen-3-ylacetamide
CID 106366410
N-[2-(chloromethyl)cyclopentyl]-2-thiophen-3-ylacetamide
CID 106365962
N-[(3R,4S)-4-cyclopropyl-1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
CID 154899007
tert-butyl N-[(3R,4R)-1-benzyl-4-cyclopropylpyrrolidin-3-yl]carbamate
CID 102069021
N-[(3S,4R)-4-cyclopropyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-3-methylsulfanylpropanamide
CID 133130563

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(2-ethoxyethyl)pyrrolidin-3-yl]-2-thiophen-3-ylacetamide;hydrochloride?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(2-ethoxyethyl)pyrrolidin-3-yl]-2-thiophen-3-ylacetamide;hydrochloride (CID 154898027) is N-[(3R,4S)-4-cyclopropyl-1-(2-ethoxyethyl)pyrrolidin-3-yl]-2-thiophen-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-(2-ethoxyethyl)pyrrolidin-3-yl]-2-thiophen-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-(2-ethoxyethyl)pyrrolidin-3-yl]-2-thiophen-3-ylacetamide;hydrochloride is CCOCCN1C[C@H](NC(=O)Cc2ccsc2)[C@@H](C2CC2)C1.Cl.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-(2-ethoxyethyl)pyrrolidin-3-yl]-2-thiophen-3-ylacetamide;hydrochloride?
The InChIKey is LULOQADZDAGSHJ-RCPFAERMSA-N. The full InChI is InChI=1S/C17H26N2O2S.ClH/c1-2-21-7-6-19-10-15(14-3-4-14)16(11-19)18-17(20)9-13-5-8-22-12-13;/h5,8,12,14-16H,2-4,6-7,9-11H2,1H3,(H,18,20);1H/t15-,16+;/m1./s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-(2-ethoxyethyl)pyrrolidin-3-yl]-2-thiophen-3-ylacetamide;hydrochloride?
N-[(3R,4S)-4-cyclopropyl-1-(2-ethoxyethyl)pyrrolidin-3-yl]-2-thiophen-3-ylacetamide;hydrochloride has a molecular weight of 358.94 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-(2-ethoxyethyl)pyrrolidin-3-yl]-2-thiophen-3-ylacetamide;hydrochloride is sourced from PubChem (CID 154898027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).