[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone

C14H19NO2S — CID 70729223

IUPAC[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2C[C@@H](C)[C@](O)(C3CC3)C2)s1
InChIInChI=1S/C14H19NO2S/c1-9-7-15(8-14(9,17)11-4-5-11)13(16)12-6-3-10(2)18-12/h3,6,9,11,17H,4-5,7-8H2,1-2H3/t9-,14+/m1/s1
InChIKeyLCQKRZAVDMUVHQ-OTYXRUKQSA-N
MW265.38 g/mol
LogP2.29
Rot. Bonds2

About [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone

[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 70729223) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID70729223
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2C[C@@H](C)[C@](O)(C3CC3)C2)s1
InChIInChI=1S/C14H19NO2S/c1-9-7-15(8-14(9,17)11-4-5-11)13(16)12-6-3-10(2)18-12/h3,6,9,11,17H,4-5,7-8H2,1-2H3/t9-,14+/m1/s1
InChIKeyLCQKRZAVDMUVHQ-OTYXRUKQSA-N
XLogP2.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone with MolForge

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Related Compounds

(3-Cyclopropylthiophen-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 53603432
(3R*,4S*)-1-{[5-(ethylthio)-2-thienyl]carbonyl}-3,4-dimethylpiperidin-4-ol
CID 70743196
2-[ethyl({(3R*,4R*)-4-(hydroxymethyl)-1-[(5-methyl-2-thienyl)carbonyl]pyrrolidin-3-yl}methyl)amino]ethanol
CID 70781611
N-[(1-hydroxycyclopentyl)methyl]thiophene-2-carboxamide
CID 49670539
1-{5-[((3R*,4R*)-3-(hydroxymethyl)-4-{[(2-methoxyethyl)(methyl)amino]methyl}pyrrolidin-1-yl)carbonyl]-2-thienyl}ethanone
CID 72899798
(3R*,4R*)-3-cyclopropyl-4-methyl-1-(4,5,6,7-tetrahydro-2-benzothien-1-ylcarbonyl)-3-pyrrolidinol
CID 72929281
[3-(Cyclopropylmethoxy)-1-pyrrolidinyl](2-thienyl)methanone
CID 91908887
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 28333833
N-[(1S)-1-cyclopropylethyl]-N,5-dimethylthiophene-2-carboxamide
CID 40143590
2-[Cyclopropylmethyl-(4,5-dimethylthiophene-2-carbonyl)amino]acetic acid
CID 43655380
(3-ethylthiophen-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260473
(3R)-1-[(4-ethyl-5-methyl-3-thienyl)carbonyl]-3,4,4-trimethyl-3-pyrrolidinol
CID 72916766

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 70729223) is [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2C[C@@H](C)[C@](O)(C3CC3)C2)s1.
What is the InChIKey of [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is LCQKRZAVDMUVHQ-OTYXRUKQSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-9-7-15(8-14(9,17)11-4-5-11)13(16)12-6-3-10(2)18-12/h3,6,9,11,17H,4-5,7-8H2,1-2H3/t9-,14+/m1/s1.
What are the key properties of [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone?
[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 265.38 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 70729223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).