phenyl-[(3R)-3-[[[(1S)-1-thiophen-2-ylpropyl]amino]methyl]pyrrolidin-1-yl]methanone

C19H24N2OS — CID 124738417

IUPACphenyl-[(3R)-3-[[[(1S)-1-thiophen-2-ylpropyl]amino]methyl]pyrrolidin-1-yl]methanone
SMILESCC[C@H](NC[C@H]1CCN(C(=O)c2ccccc2)C1)c1cccs1
InChIInChI=1S/C19H24N2OS/c1-2-17(18-9-6-12-23-18)20-13-15-10-11-21(14-15)19(22)16-7-4-3-5-8-16/h3-9,12,15,17,20H,2,10-11,13-14H2,1H3/t15-,17+/m1/s1
InChIKeyQTPHZYPCBNFQIZ-WBVHZDCISA-N
MW328.48 g/mol
LogP3.95
Rot. Bonds6

About phenyl-[(3R)-3-[[[(1S)-1-thiophen-2-ylpropyl]amino]methyl]pyrrolidin-1-yl]methanone

phenyl-[(3R)-3-[[[(1S)-1-thiophen-2-ylpropyl]amino]methyl]pyrrolidin-1-yl]methanone (PubChem CID 124738417) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is phenyl-[(3R)-3-[[[(1S)-1-thiophen-2-ylpropyl]amino]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[(3R)-3-[[[(1S)-1-thiophen-2-ylpropyl]amino]methyl]pyrrolidin-1-yl]methanone
PubChem CID124738417
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Namephenyl-[(3R)-3-[[[(1S)-1-thiophen-2-ylpropyl]amino]methyl]pyrrolidin-1-yl]methanone
SMILESCC[C@H](NC[C@H]1CCN(C(=O)c2ccccc2)C1)c1cccs1
InChIInChI=1S/C19H24N2OS/c1-2-17(18-9-6-12-23-18)20-13-15-10-11-21(14-15)19(22)16-7-4-3-5-8-16/h3-9,12,15,17,20H,2,10-11,13-14H2,1H3/t15-,17+/m1/s1
InChIKeyQTPHZYPCBNFQIZ-WBVHZDCISA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-[3-[(1-thiophen-2-ylpropylamino)methyl]pyrrolidin-1-yl]methanone
CID 119051883
tert-butyl 4-[(1-thiophen-2-ylpropylamino)methyl]piperidine-1-carboxylate
CID 103730198
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 60856851
4-[(1-thiophen-2-ylpropylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532736
[3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 63263775
1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone
CID 54964322
phenyl-[(3S)-3-[[[(S)-phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]methanone
CID 100748164
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119542048
methyl 3-[(1-methylpiperidin-4-yl)methylamino]-3-thiophen-2-ylpropanoate
CID 62657315
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
3-methyl-N-(1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 60547129
[4-[(2-methoxy-2-thiophen-2-ylethyl)amino]piperidin-1-yl]-phenylmethanone
CID 50951057

Frequently Asked Questions

What is the IUPAC name of phenyl-[(3R)-3-[[[(1S)-1-thiophen-2-ylpropyl]amino]methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of phenyl-[(3R)-3-[[[(1S)-1-thiophen-2-ylpropyl]amino]methyl]pyrrolidin-1-yl]methanone (CID 124738417) is phenyl-[(3R)-3-[[[(1S)-1-thiophen-2-ylpropyl]amino]methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for phenyl-[(3R)-3-[[[(1S)-1-thiophen-2-ylpropyl]amino]methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for phenyl-[(3R)-3-[[[(1S)-1-thiophen-2-ylpropyl]amino]methyl]pyrrolidin-1-yl]methanone is CC[C@H](NC[C@H]1CCN(C(=O)c2ccccc2)C1)c1cccs1.
What is the InChIKey of phenyl-[(3R)-3-[[[(1S)-1-thiophen-2-ylpropyl]amino]methyl]pyrrolidin-1-yl]methanone?
The InChIKey is QTPHZYPCBNFQIZ-WBVHZDCISA-N. The full InChI is InChI=1S/C19H24N2OS/c1-2-17(18-9-6-12-23-18)20-13-15-10-11-21(14-15)19(22)16-7-4-3-5-8-16/h3-9,12,15,17,20H,2,10-11,13-14H2,1H3/t15-,17+/m1/s1.
What are the key properties of phenyl-[(3R)-3-[[[(1S)-1-thiophen-2-ylpropyl]amino]methyl]pyrrolidin-1-yl]methanone?
phenyl-[(3R)-3-[[[(1S)-1-thiophen-2-ylpropyl]amino]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 328.48 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(3R)-3-[[[(1S)-1-thiophen-2-ylpropyl]amino]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124738417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).