N-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine

C11H17ClN2S — CID 28654114

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESClc1ccc(CNCCN2CCCC2)s1
InChIInChI=1S/C11H17ClN2S/c12-11-4-3-10(15-11)9-13-5-8-14-6-1-2-7-14/h3-4,13H,1-2,5-9H2
InChIKeyOWVJJJMTAAPWRH-UHFFFAOYSA-N
MW244.79 g/mol
LogP2.59
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine

N-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 28654114) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID28654114
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESClc1ccc(CNCCN2CCCC2)s1
InChIInChI=1S/C11H17ClN2S/c12-11-4-3-10(15-11)9-13-5-8-14-6-1-2-7-14/h3-4,13H,1-2,5-9H2
InChIKeyOWVJJJMTAAPWRH-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 52.59
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

N-[(5-chlorothiophen-2-yl)methyl]-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine
CID 62554401
N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
CID 62575679
N-[(5-chlorothiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672980
N-[(5-chlorothiophen-2-yl)methyl]-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114540403
N-[(5-chlorothiophen-2-yl)methyl]-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 63620184
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 102830924
N-[(5-phenylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43224626
5-[(2-piperidin-1-ylethylamino)methyl]thiophene-2-carboxylic acid
CID 103244365
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 63620344
N-[(2,5-dichlorothiophen-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 107961532
1-[4-[(5-chlorothiophen-2-yl)methylamino]butyl]piperidine-4-carboxamide
CID 38064329
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62560300

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine (CID 28654114) is N-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine is Clc1ccc(CNCCN2CCCC2)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is OWVJJJMTAAPWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c12-11-4-3-10(15-11)9-13-5-8-14-6-1-2-7-14/h3-4,13H,1-2,5-9H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
N-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 244.79 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 28654114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).