[(2R)-2-(methoxymethyl)azetidin-1-yl]-(5-propan-2-ylthiophen-2-yl)methanone

C13H19NO2S — CID 164639608

IUPAC[(2R)-2-(methoxymethyl)azetidin-1-yl]-(5-propan-2-ylthiophen-2-yl)methanone
SMILESCOC[C@H]1CCN1C(=O)c1ccc(C(C)C)s1
InChIInChI=1S/C13H19NO2S/c1-9(2)11-4-5-12(17-11)13(15)14-7-6-10(14)8-16-3/h4-5,9-10H,6-8H2,1-3H3/t10-/m1/s1
InChIKeyIRJRFCIKBBLZEY-SNVBAGLBSA-N
MW253.37 g/mol
LogP2.73
Rot. Bonds4

About [(2R)-2-(methoxymethyl)azetidin-1-yl]-(5-propan-2-ylthiophen-2-yl)methanone

[(2R)-2-(methoxymethyl)azetidin-1-yl]-(5-propan-2-ylthiophen-2-yl)methanone (PubChem CID 164639608) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is [(2R)-2-(methoxymethyl)azetidin-1-yl]-(5-propan-2-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(methoxymethyl)azetidin-1-yl]-(5-propan-2-ylthiophen-2-yl)methanone
PubChem CID164639608
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name[(2R)-2-(methoxymethyl)azetidin-1-yl]-(5-propan-2-ylthiophen-2-yl)methanone
SMILESCOC[C@H]1CCN1C(=O)c1ccc(C(C)C)s1
InChIInChI=1S/C13H19NO2S/c1-9(2)11-4-5-12(17-11)13(15)14-7-6-10(14)8-16-3/h4-5,9-10H,6-8H2,1-3H3/t10-/m1/s1
InChIKeyIRJRFCIKBBLZEY-SNVBAGLBSA-N
XLogP2.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[5-(Morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]ethanone
CID 45204396
Ethyl 2-methyl-1-(thiophene-2-carbonyl)azetidine-2-carboxylate
CID 49790736
1-Methyl-8-(5-methylthiophene-2-carbonyl)-decahydropyrido[3,4-E][1,4]oxazepine
CID 110196083
N-[(1S)-1-cyclopropylethyl]-N,5-dimethylthiophene-2-carboxamide
CID 40143590
N-(2-hydroxy-2-methylpropyl)-5-(2-methylpropyl)-N-propylthiophene-2-carboxamide
CID 138007899
(5-methylthiophen-2-yl)-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 164641413
(5-Tert-butylthiophen-2-yl)-morpholin-4-ylmethanone
CID 2741531
5-tert-butyl-N,N-diethylthiophene-2-carboxamide
CID 2823754
N-(1-cyclopropylethyl)-N,5-dimethylthiophene-2-carboxamide
CID 42942387
Ethyl 2-[(5-ethylthiophene-2-carbonyl)-propan-2-ylamino]acetate
CID 51120526
N-(1-methoxypropan-2-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 52992951
Morpholin-4-yl[5-(propan-2-yl)thiophen-3-yl]methanone
CID 17191050

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(methoxymethyl)azetidin-1-yl]-(5-propan-2-ylthiophen-2-yl)methanone?
The IUPAC name of [(2R)-2-(methoxymethyl)azetidin-1-yl]-(5-propan-2-ylthiophen-2-yl)methanone (CID 164639608) is [(2R)-2-(methoxymethyl)azetidin-1-yl]-(5-propan-2-ylthiophen-2-yl)methanone.
What is the SMILES notation for [(2R)-2-(methoxymethyl)azetidin-1-yl]-(5-propan-2-ylthiophen-2-yl)methanone?
The canonical SMILES for [(2R)-2-(methoxymethyl)azetidin-1-yl]-(5-propan-2-ylthiophen-2-yl)methanone is COC[C@H]1CCN1C(=O)c1ccc(C(C)C)s1.
What is the InChIKey of [(2R)-2-(methoxymethyl)azetidin-1-yl]-(5-propan-2-ylthiophen-2-yl)methanone?
The InChIKey is IRJRFCIKBBLZEY-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-9(2)11-4-5-12(17-11)13(15)14-7-6-10(14)8-16-3/h4-5,9-10H,6-8H2,1-3H3/t10-/m1/s1.
What are the key properties of [(2R)-2-(methoxymethyl)azetidin-1-yl]-(5-propan-2-ylthiophen-2-yl)methanone?
[(2R)-2-(methoxymethyl)azetidin-1-yl]-(5-propan-2-ylthiophen-2-yl)methanone has a molecular weight of 253.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(methoxymethyl)azetidin-1-yl]-(5-propan-2-ylthiophen-2-yl)methanone is sourced from PubChem (CID 164639608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).