[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone

C16H23NO2S — CID 129423576

IUPAC[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone
SMILESCc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C(C)(C)O
InChIInChI=1S/C16H23NO2S/c1-10-6-8-20-14(10)11-9-12(11)15(18)17-7-4-5-13(17)16(2,3)19/h6,8,11-13,19H,4-5,7,9H2,1-3H3/t11-,12-,13+/m1/s1
InChIKeyNVQGXFPKINGGJJ-UPJWGTAASA-N
MW293.43 g/mol
LogP2.92
Rot. Bonds3

About [(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone

[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone (PubChem CID 129423576) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is [(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone
PubChem CID129423576
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone
SMILESCc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C(C)(C)O
InChIInChI=1S/C16H23NO2S/c1-10-6-8-20-14(10)11-9-12(11)15(18)17-7-4-5-13(17)16(2,3)19/h6,8,11-13,19H,4-5,7,9H2,1-3H3/t11-,12-,13+/m1/s1
InChIKeyNVQGXFPKINGGJJ-UPJWGTAASA-N
XLogP2.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-4-cyclopropyl-1-[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120978322
1-[(1S,2S)-2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 124698267
(3S)-3-hydroxy-1-[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide
CID 100623581
2-[(2S)-4-[(1S,2R)-2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 124698180
[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone
CID 129400417
1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(2-methylphenyl)sulfanylethanone
CID 75431165
3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 91660012
[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-[(1R,2S)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone
CID 129326445
(5-ethyl-3-methylfuran-2-yl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
CID 84594570
2-(3-methylthiophen-2-yl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020585
(2R)-2-hydroxy-1-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 97330210
(3R)-3-[[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]butanoic acid
CID 124845391

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone?
The IUPAC name of [(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone (CID 129423576) is [(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone.
What is the SMILES notation for [(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone?
The canonical SMILES for [(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone is Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C(C)(C)O.
What is the InChIKey of [(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone?
The InChIKey is NVQGXFPKINGGJJ-UPJWGTAASA-N. The full InChI is InChI=1S/C16H23NO2S/c1-10-6-8-20-14(10)11-9-12(11)15(18)17-7-4-5-13(17)16(2,3)19/h6,8,11-13,19H,4-5,7,9H2,1-3H3/t11-,12-,13+/m1/s1.
What are the key properties of [(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone?
[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone has a molecular weight of 293.43 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone is sourced from PubChem (CID 129423576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).