1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-thiophen-3-ylethanone

C14H19NO2S — CID 121197565

IUPAC1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC(OCC2CC2)C1
InChIInChI=1S/C14H19NO2S/c16-14(7-12-4-6-18-10-12)15-5-3-13(8-15)17-9-11-1-2-11/h4,6,10-11,13H,1-3,5,7-9H2
InChIKeyONPRXALSUMSBQM-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.32
Rot. Bonds5

About 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-thiophen-3-ylethanone

1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 121197565) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID121197565
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC(OCC2CC2)C1
InChIInChI=1S/C14H19NO2S/c16-14(7-12-4-6-18-10-12)15-5-3-13(8-15)17-9-11-1-2-11/h4,6,10-11,13H,1-3,5,7-9H2
InChIKeyONPRXALSUMSBQM-UHFFFAOYSA-N
XLogP2.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-Methyl-N-[(oxan-4-YL)methyl]-2-(thiophen-3-YL)acetamide
CID 91914991
1-[(5aR,9aS)-4-[2-(dimethylamino)ethyl]-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-2-thiophen-3-ylethanone
CID 97403379
1-[(4aR,7aS)-4-propan-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-thiophen-3-ylethanone
CID 97508940
1-[(4aR,7aS)-4-(cyclopropylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-thiophen-3-ylethanone
CID 97508954
1-[(2S)-2-methylmorpholin-4-yl]-2-(thiophen-3-yl)ethan-1-one
CID 40137163
1-(1-Oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-(thiophen-3-yl)ethanone
CID 71806922
[3-(Cyclopropylmethoxy)-1-pyrrolidinyl](2-thienyl)methanone
CID 91908887
1-(2-Methylmorpholin-4-yl)-2-thiophen-3-ylethanone
CID 42938372
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 71857986
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-thiophen-3-ylpropanamide
CID 75378561
N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 100067372
N-[(1-cyclopentyl-4-piperidinyl)methyl]-N-(tetrahydro-2-furanylmethyl)-2-(3-thienyl)acetamide
CID 45190637

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-thiophen-3-ylethanone (CID 121197565) is 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCC(OCC2CC2)C1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is ONPRXALSUMSBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-14(7-12-4-6-18-10-12)15-5-3-13(8-15)17-9-11-1-2-11/h4,6,10-11,13H,1-3,5,7-9H2.
What are the key properties of 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-thiophen-3-ylethanone?
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 265.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 121197565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).