2-pyrrol-1-yl-2-thiophen-2-ylethanamine

C10H12N2S — CID 55262597

IUPAC2-pyrrol-1-yl-2-thiophen-2-ylethanamine
SMILESNCC(c1cccs1)n1cccc1
InChIInChI=1S/C10H12N2S/c11-8-9(10-4-3-7-13-10)12-5-1-2-6-12/h1-7,9H,8,11H2
InChIKeyJZYIFIRFMIKCCP-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.10
Rot. Bonds3

About 2-pyrrol-1-yl-2-thiophen-2-ylethanamine

2-pyrrol-1-yl-2-thiophen-2-ylethanamine (PubChem CID 55262597) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 2-pyrrol-1-yl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-pyrrol-1-yl-2-thiophen-2-ylethanamine
PubChem CID55262597
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name2-pyrrol-1-yl-2-thiophen-2-ylethanamine
SMILESNCC(c1cccs1)n1cccc1
InChIInChI=1S/C10H12N2S/c11-8-9(10-4-3-7-13-10)12-5-1-2-6-12/h1-7,9H,8,11H2
InChIKeyJZYIFIRFMIKCCP-UHFFFAOYSA-N
XLogP2.10
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrrolidin-1-yl-2-thiophen-2-ylethanamine
CID 3733262
(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine
CID 9079352
(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
CID 7127651
2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 82078137
1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-ol
CID 62941144
2-phenyl-2-pyrrol-1-ylethanamine
CID 63763733
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanamine
CID 16642687
2-(3-azaspiro[5.5]undecan-3-yl)-2-thiophen-2-ylethanamine
CID 62935626
(3S)-N-benzyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708975
N-(3-fluorophenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 46342482
2-(1,1-dioxo-1,4-thiazepan-4-yl)-2-thiophen-2-ylethanamine
CID 114083369
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-thiophen-2-ylethanamine
CID 79174673

Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-yl-2-thiophen-2-ylethanamine?
The IUPAC name of 2-pyrrol-1-yl-2-thiophen-2-ylethanamine (CID 55262597) is 2-pyrrol-1-yl-2-thiophen-2-ylethanamine.
What is the SMILES notation for 2-pyrrol-1-yl-2-thiophen-2-ylethanamine?
The canonical SMILES for 2-pyrrol-1-yl-2-thiophen-2-ylethanamine is NCC(c1cccs1)n1cccc1.
What is the InChIKey of 2-pyrrol-1-yl-2-thiophen-2-ylethanamine?
The InChIKey is JZYIFIRFMIKCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c11-8-9(10-4-3-7-13-10)12-5-1-2-6-12/h1-7,9H,8,11H2.
What are the key properties of 2-pyrrol-1-yl-2-thiophen-2-ylethanamine?
2-pyrrol-1-yl-2-thiophen-2-ylethanamine has a molecular weight of 192.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-yl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 55262597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).