N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine

C10H15ClN2S — CID 106042378

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine
SMILESClc1ccc(CCNC2CCNC2)s1
InChIInChI=1S/C10H15ClN2S/c11-10-2-1-9(14-10)4-6-13-8-3-5-12-7-8/h1-2,8,12-13H,3-7H2
InChIKeyGGJLFWPZNIGMSE-UHFFFAOYSA-N
MW230.76 g/mol
LogP1.90
Rot. Bonds4

About N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine

N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine (PubChem CID 106042378) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine
PubChem CID106042378
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine
SMILESClc1ccc(CCNC2CCNC2)s1
InChIInChI=1S/C10H15ClN2S/c11-10-2-1-9(14-10)4-6-13-8-3-5-12-7-8/h1-2,8,12-13H,3-7H2
InChIKeyGGJLFWPZNIGMSE-UHFFFAOYSA-N
XLogP1.90
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119451026
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine
CID 103698612
N-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride
CID 115582706
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine
CID 113260642
N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine
CID 62528423
N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine
CID 65308853
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 106046741
4-[2-(5-chlorothiophen-2-yl)ethyl]piperidine
CID 83487153
(3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-3-carboxamide
CID 106047918
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 106046098
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 106041165
trans-(1S,2S)-2-[2-(5-chlorothiophen-2-yl)ethylamino]cyclopentan-1-ol
CID 106046578

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine (CID 106042378) is N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine is Clc1ccc(CCNC2CCNC2)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is GGJLFWPZNIGMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c11-10-2-1-9(14-10)4-6-13-8-3-5-12-7-8/h1-2,8,12-13H,3-7H2.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 230.76 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 106042378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).