N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide

C14H22N2OS — CID 61372761

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1cc(C(C)NC(=O)CC2CCCN2)c(C)s1
InChIInChI=1S/C14H22N2OS/c1-9-7-13(11(3)18-9)10(2)16-14(17)8-12-5-4-6-15-12/h7,10,12,15H,4-6,8H2,1-3H3,(H,16,17)
InChIKeyOAYPQXQBNYQGNM-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.68
Rot. Bonds4

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 61372761) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide
PubChem CID61372761
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1cc(C(C)NC(=O)CC2CCCN2)c(C)s1
InChIInChI=1S/C14H22N2OS/c1-9-7-13(11(3)18-9)10(2)16-14(17)8-12-5-4-6-15-12/h7,10,12,15H,4-6,8H2,1-3H3,(H,16,17)
InChIKeyOAYPQXQBNYQGNM-UHFFFAOYSA-N
XLogP2.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-piperidin-4-ylacetamide
CID 54910487
2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
CID 60866013
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119785383
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119795514
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119795513
2-pyrrolidin-2-yl-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687090
2-pyrrolidin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 61364244
N-[(1S)-1-(furan-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 81400921
N-[1-(4-phenylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119685566
N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 66195074
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119779789
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide (CID 61372761) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide is Cc1cc(C(C)NC(=O)CC2CCCN2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is OAYPQXQBNYQGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-9-7-13(11(3)18-9)10(2)16-14(17)8-12-5-4-6-15-12/h7,10,12,15H,4-6,8H2,1-3H3,(H,16,17).
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 266.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61372761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).