1-(5-methylthiophen-3-yl)-3-pyrrolidin-3-ylpropan-1-one

C12H17NOS — CID 116606145

IUPAC1-(5-methylthiophen-3-yl)-3-pyrrolidin-3-ylpropan-1-one
SMILESCc1cc(C(=O)CCC2CCNC2)cs1
InChIInChI=1S/C12H17NOS/c1-9-6-11(8-15-9)12(14)3-2-10-4-5-13-7-10/h6,8,10,13H,2-5,7H2,1H3
InChIKeyHNKFCPGIEIGXJW-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.63
Rot. Bonds4

About 1-(5-methylthiophen-3-yl)-3-pyrrolidin-3-ylpropan-1-one

1-(5-methylthiophen-3-yl)-3-pyrrolidin-3-ylpropan-1-one (PubChem CID 116606145) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(5-methylthiophen-3-yl)-3-pyrrolidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-methylthiophen-3-yl)-3-pyrrolidin-3-ylpropan-1-one
PubChem CID116606145
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-(5-methylthiophen-3-yl)-3-pyrrolidin-3-ylpropan-1-one
SMILESCc1cc(C(=O)CCC2CCNC2)cs1
InChIInChI=1S/C12H17NOS/c1-9-6-11(8-15-9)12(14)3-2-10-4-5-13-7-10/h6,8,10,13H,2-5,7H2,1H3
InChIKeyHNKFCPGIEIGXJW-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-1-(5-methylthiophen-3-yl)propan-1-one
CID 114975969
1-(5-methylthiophen-3-yl)-2-piperidin-4-ylethanone
CID 58514712
1-(4-ethylphenyl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606137
1-(3,4-dimethylphenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606064
1-(4-methyl-3-pyridinyl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606120
3-pyrrolidin-3-ylpropanoic acid
CID 12825648
N-(4-bromo-3,5-dimethylphenyl)-3-pyrrolidin-3-ylpropanamide
CID 107574186
1-(4-chloro-2-fluorophenyl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606153
3-[(3R)-pyrrolidin-3-yl]propanamide
CID 174976551
1-(2,3-dihydrofuran-5-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 102652602
1-pyrrolidin-3-ylhexan-3-one
CID 116605913
1-(3-methoxypyrazin-2-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 116605952

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-3-yl)-3-pyrrolidin-3-ylpropan-1-one?
The IUPAC name of 1-(5-methylthiophen-3-yl)-3-pyrrolidin-3-ylpropan-1-one (CID 116606145) is 1-(5-methylthiophen-3-yl)-3-pyrrolidin-3-ylpropan-1-one.
What is the SMILES notation for 1-(5-methylthiophen-3-yl)-3-pyrrolidin-3-ylpropan-1-one?
The canonical SMILES for 1-(5-methylthiophen-3-yl)-3-pyrrolidin-3-ylpropan-1-one is Cc1cc(C(=O)CCC2CCNC2)cs1.
What is the InChIKey of 1-(5-methylthiophen-3-yl)-3-pyrrolidin-3-ylpropan-1-one?
The InChIKey is HNKFCPGIEIGXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9-6-11(8-15-9)12(14)3-2-10-4-5-13-7-10/h6,8,10,13H,2-5,7H2,1H3.
What are the key properties of 1-(5-methylthiophen-3-yl)-3-pyrrolidin-3-ylpropan-1-one?
1-(5-methylthiophen-3-yl)-3-pyrrolidin-3-ylpropan-1-one has a molecular weight of 223.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-3-yl)-3-pyrrolidin-3-ylpropan-1-one is sourced from PubChem (CID 116606145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).