2-[2-(5-chlorothiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone

C12H17ClN2OS — CID 114140380

IUPAC2-[2-(5-chlorothiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNCCc1ccc(Cl)s1)N1CCCC1
InChIInChI=1S/C12H17ClN2OS/c13-11-4-3-10(17-11)5-6-14-9-12(16)15-7-1-2-8-15/h3-4,14H,1-2,5-9H2
InChIKeyLHLNIZYVMVUCGS-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.16
Rot. Bonds5

About 2-[2-(5-chlorothiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone

2-[2-(5-chlorothiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 114140380) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone
PubChem CID114140380
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name2-[2-(5-chlorothiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNCCc1ccc(Cl)s1)N1CCCC1
InChIInChI=1S/C12H17ClN2OS/c13-11-4-3-10(17-11)5-6-14-9-12(16)15-7-1-2-8-15/h3-4,14H,1-2,5-9H2
InChIKeyLHLNIZYVMVUCGS-UHFFFAOYSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]acetyl]piperidine-4-carboxylic acid
CID 106036897
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 47247812
1-(azetidin-1-yl)-3-(5-chlorothiophen-2-yl)propan-1-one
CID 60559847
2-[2-(4-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 60672436
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-(propylamino)ethanone
CID 60687899
2-[2-(5-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylethanone
CID 114140427
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine
CID 106046426
1-(azepan-1-yl)-2-[2-(3-chlorophenyl)ethylamino]ethanone
CID 109006698
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylprop-2-en-1-amine
CID 106046390
2-(5-chlorothiophen-2-yl)-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone
CID 110806581
1-(azepan-1-yl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanone
CID 54938054
2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 106400784

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone (CID 114140380) is 2-[2-(5-chlorothiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone is O=C(CNCCc1ccc(Cl)s1)N1CCCC1.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is LHLNIZYVMVUCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c13-11-4-3-10(17-11)5-6-14-9-12(16)15-7-1-2-8-15/h3-4,14H,1-2,5-9H2.
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone?
2-[2-(5-chlorothiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 272.80 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 114140380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).