1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)pyrrolidin-2-one

C12H17ClN2OS — CID 54973377

IUPAC1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)pyrrolidin-2-one
SMILESCCNC1CCN(C(C)c2ccc(Cl)s2)C1=O
InChIInChI=1S/C12H17ClN2OS/c1-3-14-9-6-7-15(12(9)16)8(2)10-4-5-11(13)17-10/h4-5,8-9,14H,3,6-7H2,1-2H3
InChIKeyFNHWTMLCOHTPDU-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.67
Rot. Bonds4

About 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)pyrrolidin-2-one

1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)pyrrolidin-2-one (PubChem CID 54973377) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)pyrrolidin-2-one
PubChem CID54973377
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)pyrrolidin-2-one
SMILESCCNC1CCN(C(C)c2ccc(Cl)s2)C1=O
InChIInChI=1S/C12H17ClN2OS/c1-3-14-9-6-7-15(12(9)16)8(2)10-4-5-11(13)17-10/h4-5,8-9,14H,3,6-7H2,1-2H3
InChIKeyFNHWTMLCOHTPDU-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperidin-4-amine
CID 54954672
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-propyl-1,4-diazepane-2,5-dione
CID 64964807
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64964973
1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79396947
3-(ethylamino)-1-hexan-3-ylpyrrolidin-2-one
CID 62119682
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)piperidin-2-one
CID 114139676
1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-2,4-dione
CID 79515728
N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513257
N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240776
3-(ethylamino)-1-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrrolidin-2-one
CID 106357935
3-(ethylamino)-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591603
methyl 1-[1-(5-chlorothiophen-2-yl)ethyl]azetidine-2-carboxylate
CID 112581265

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)pyrrolidin-2-one?
The IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)pyrrolidin-2-one (CID 54973377) is 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)pyrrolidin-2-one?
The canonical SMILES for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)pyrrolidin-2-one is CCNC1CCN(C(C)c2ccc(Cl)s2)C1=O.
What is the InChIKey of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)pyrrolidin-2-one?
The InChIKey is FNHWTMLCOHTPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-3-14-9-6-7-15(12(9)16)8(2)10-4-5-11(13)17-10/h4-5,8-9,14H,3,6-7H2,1-2H3.
What are the key properties of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)pyrrolidin-2-one?
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)pyrrolidin-2-one has a molecular weight of 272.80 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)pyrrolidin-2-one is sourced from PubChem (CID 54973377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).