2-(5-chlorothiophen-2-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine

C15H22ClNOS — CID 106046675

IUPAC2-(5-chlorothiophen-2-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
SMILESClc1ccc(CCNCC2CCC3(CCCC3)O2)s1
InChIInChI=1S/C15H22ClNOS/c16-14-4-3-13(19-14)6-10-17-11-12-5-9-15(18-12)7-1-2-8-15/h3-4,12,17H,1-2,5-11H2
InChIKeyGHFZEWZYHQEVGS-UHFFFAOYSA-N
MW299.87 g/mol
LogP4.03
Rot. Bonds5

About 2-(5-chlorothiophen-2-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine

2-(5-chlorothiophen-2-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine (PubChem CID 106046675) has the molecular formula C15H22ClNOS and a molecular weight of 299.87 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
PubChem CID106046675
Molecular FormulaC15H22ClNOS
Molecular Weight299.87 g/mol
Exact Mass299.11
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
SMILESClc1ccc(CCNCC2CCC3(CCCC3)O2)s1
InChIInChI=1S/C15H22ClNOS/c16-14-4-3-13(19-14)6-10-17-11-12-5-9-15(18-12)7-1-2-8-15/h3-4,12,17H,1-2,5-11H2
InChIKeyGHFZEWZYHQEVGS-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 54.03
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

2-(5-bromothiophen-2-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 106047186
N-[(5-ethylthiophen-2-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 106010999
2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102900965
N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 102897171
2-(1,2,4-oxadiazol-5-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 106399718
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 106046741
5-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-3,3-difluorooxolan-2-one
CID 106046328
2-cyclopropyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897426
N-[(4-methylphenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102896721
1-(1-oxaspiro[4.5]decan-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 102896758
N-[(4-fluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102896687
2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896547

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine (CID 106046675) is 2-(5-chlorothiophen-2-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine is Clc1ccc(CCNCC2CCC3(CCCC3)O2)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
The InChIKey is GHFZEWZYHQEVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNOS/c16-14-4-3-13(19-14)6-10-17-11-12-5-9-15(18-12)7-1-2-8-15/h3-4,12,17H,1-2,5-11H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
2-(5-chlorothiophen-2-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine has a molecular weight of 299.87 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine is sourced from PubChem (CID 106046675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).