N-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine

C14H20ClNOS — CID 106046741

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESClc1ccc(CCNC2CCOC3(CCC3)C2)s1
InChIInChI=1S/C14H20ClNOS/c15-13-3-2-12(18-13)4-8-16-11-5-9-17-14(10-11)6-1-7-14/h2-3,11,16H,1,4-10H2
InChIKeyAEHUMQIGWYUGOO-UHFFFAOYSA-N
MW285.84 g/mol
LogP3.64
Rot. Bonds4

About N-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine

N-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 106046741) has the molecular formula C14H20ClNOS and a molecular weight of 285.84 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
PubChem CID106046741
Molecular FormulaC14H20ClNOS
Molecular Weight285.84 g/mol
Exact Mass285.10
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESClc1ccc(CCNC2CCOC3(CCC3)C2)s1
InChIInChI=1S/C14H20ClNOS/c15-13-3-2-12(18-13)4-8-16-11-5-9-17-14(10-11)6-1-7-14/h2-3,11,16H,1,4-10H2
InChIKeyAEHUMQIGWYUGOO-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 106046098
N-[2-(5-bromothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 106047218
N-[2-(5-bromothiophen-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 106046991
N-[2-(2,4-dichlorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79897553
N-(2-pyridin-4-ylethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895848
N-[2-(2-methylphenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903710
N-(2-thiophen-2-ylethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 70727079
N-(2-pyridin-3-ylethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895344
N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79895111
N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 106042378
N-[(2-chlorophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79897702
N-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride
CID 115582706

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine (CID 106046741) is N-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine is Clc1ccc(CCNC2CCOC3(CCC3)C2)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is AEHUMQIGWYUGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOS/c15-13-3-2-12(18-13)4-8-16-11-5-9-17-14(10-11)6-1-7-14/h2-3,11,16H,1,4-10H2.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 285.84 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 106046741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).