2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)ethanone

C14H22N2OS — CID 62889309

IUPAC2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CN2CCCC2CN(C)C)s1
InChIInChI=1S/C14H22N2OS/c1-11-6-7-14(18-11)13(17)10-16-8-4-5-12(16)9-15(2)3/h6-7,12H,4-5,8-10H2,1-3H3
InChIKeyDKROUNVWCUEIDU-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.27
Rot. Bonds5

About 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)ethanone

2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 62889309) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)ethanone
PubChem CID62889309
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CN2CCCC2CN(C)C)s1
InChIInChI=1S/C14H22N2OS/c1-11-6-7-14(18-11)13(17)10-16-8-4-5-12(16)9-15(2)3/h6-7,12H,4-5,8-10H2,1-3H3
InChIKeyDKROUNVWCUEIDU-UHFFFAOYSA-N
XLogP2.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(5-methylthiophen-2-yl)ethanone
CID 102727266
2-(2,3-dimethylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 55039892
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 65319921
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone
CID 62889137
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 82750333
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(4-propan-2-ylphenyl)ethanone
CID 62889837
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-one
CID 62888278
2-(4-methylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 43228150
1-(5-chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 4014587
1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone
CID 104690747
1-(5-ethylthiophen-2-yl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62050766
N-(2-amino-4-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]acetamide
CID 62885358

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)ethanone (CID 62889309) is 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)CN2CCCC2CN(C)C)s1.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is DKROUNVWCUEIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11-6-7-14(18-11)13(17)10-16-8-4-5-12(16)9-15(2)3/h6-7,12H,4-5,8-10H2,1-3H3.
What are the key properties of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)ethanone?
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 266.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 62889309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).