[(3R)-3-aminopyrrolidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone

C16H22N2OS — CID 119411352

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone
SMILESN[C@@H]1CCN(C(=O)C2(Sc3ccccc3)CCCC2)C1
InChIInChI=1S/C16H22N2OS/c17-13-8-11-18(12-13)15(19)16(9-4-5-10-16)20-14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,8-12,17H2/t13-/m1/s1
InChIKeyUXMSRBMXTFIPRM-CYBMUJFWSA-N
MW290.43 g/mol
LogP2.65
Rot. Bonds3

About [(3R)-3-aminopyrrolidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone

[(3R)-3-aminopyrrolidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone (PubChem CID 119411352) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone
PubChem CID119411352
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone
SMILESN[C@@H]1CCN(C(=O)C2(Sc3ccccc3)CCCC2)C1
InChIInChI=1S/C16H22N2OS/c17-13-8-11-18(12-13)15(19)16(9-4-5-10-16)20-14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,8-12,17H2/t13-/m1/s1
InChIKeyUXMSRBMXTFIPRM-CYBMUJFWSA-N
XLogP2.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylamino)piperidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone
CID 119490722
[(3S)-3-aminopyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119934201
4-hydroxy-1-(1-phenylsulfanylcyclopentanecarbonyl)piperidine-4-carboxylic acid
CID 119251216
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride
CID 119409853
1-[(3S)-3-aminopyrrolidin-1-yl]-2-phenylsulfanylethanone;hydrochloride
CID 119934344
N-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopropyl]benzamide
CID 166176498
N-[1-(3-aminopyrrolidine-1-carbonyl)cyclopropyl]benzamide;hydrochloride
CID 166176501
1-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopentyl]-3-benzylurea
CID 119409296
[3-(methylaminomethyl)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone
CID 119395809
[2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone
CID 119412358
(4-aminopiperidin-1-yl)-(1-phenylcyclobutyl)methanone;hydrochloride
CID 119374083
1-[(3R)-3-aminopyrrolidin-1-yl]-2-phenyl-2-phenylsulfanylethanone
CID 119409196

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone (CID 119411352) is [(3R)-3-aminopyrrolidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone is N[C@@H]1CCN(C(=O)C2(Sc3ccccc3)CCCC2)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone?
The InChIKey is UXMSRBMXTFIPRM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N2OS/c17-13-8-11-18(12-13)15(19)16(9-4-5-10-16)20-14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,8-12,17H2/t13-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone?
[(3R)-3-aminopyrrolidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone has a molecular weight of 290.43 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone is sourced from PubChem (CID 119411352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).