N-(2-thiophen-2-ylethyl)-1,9-dioxaspiro[5.5]undecan-4-amine

C15H23NO2S — CID 70727079

IUPACN-(2-thiophen-2-ylethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESc1csc(CCNC2CCOC3(CCOCC3)C2)c1
InChIInChI=1S/C15H23NO2S/c1-2-14(19-11-1)3-7-16-13-4-8-18-15(12-13)5-9-17-10-6-15/h1-2,11,13,16H,3-10,12H2
InChIKeyBHCUVBBKIVLEPN-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.61
Rot. Bonds4

About N-(2-thiophen-2-ylethyl)-1,9-dioxaspiro[5.5]undecan-4-amine

N-(2-thiophen-2-ylethyl)-1,9-dioxaspiro[5.5]undecan-4-amine (PubChem CID 70727079) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-1,9-dioxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
PubChem CID70727079
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-(2-thiophen-2-ylethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESc1csc(CCNC2CCOC3(CCOCC3)C2)c1
InChIInChI=1S/C15H23NO2S/c1-2-14(19-11-1)3-7-16-13-4-8-18-15(12-13)5-9-17-10-6-15/h1-2,11,13,16H,3-10,12H2
InChIKeyBHCUVBBKIVLEPN-UHFFFAOYSA-N
XLogP2.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(thiophen-2-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897969
(4R)-N-(4-phenylbutyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96578536
N-[2-(3-methylphenyl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79899591
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 106046098
(4R)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96581370
N-[3-(4-chlorophenyl)propyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 154794434
N-(2-phenylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79897783
N-[2-(5-bromothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 106047218
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 106046741
N-(2-pyridin-4-ylethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895848
(4S)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96576672
(4R)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96576671

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(2-thiophen-2-ylethyl)-1,9-dioxaspiro[5.5]undecan-4-amine (CID 70727079) is N-(2-thiophen-2-ylethyl)-1,9-dioxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(2-thiophen-2-ylethyl)-1,9-dioxaspiro[5.5]undecan-4-amine is c1csc(CCNC2CCOC3(CCOCC3)C2)c1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The InChIKey is BHCUVBBKIVLEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-2-14(19-11-1)3-7-16-13-4-8-18-15(12-13)5-9-17-10-6-15/h1-2,11,13,16H,3-10,12H2.
What are the key properties of N-(2-thiophen-2-ylethyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
N-(2-thiophen-2-ylethyl)-1,9-dioxaspiro[5.5]undecan-4-amine has a molecular weight of 281.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)-1,9-dioxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 70727079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).