N-(1-thiophen-3-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine

C14H21NO2S — CID 62842188

IUPACN-(1-thiophen-3-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC(NC1CCC2(CC1)OCCO2)c1ccsc1
InChIInChI=1S/C14H21NO2S/c1-11(12-4-9-18-10-12)15-13-2-5-14(6-3-13)16-7-8-17-14/h4,9-11,13,15H,2-3,5-8H2,1H3
InChIKeyNWIAEEMCFGIFJN-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.08
Rot. Bonds3

About N-(1-thiophen-3-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine

N-(1-thiophen-3-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 62842188) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(1-thiophen-3-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(1-thiophen-3-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID62842188
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(1-thiophen-3-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC(NC1CCC2(CC1)OCCO2)c1ccsc1
InChIInChI=1S/C14H21NO2S/c1-11(12-4-9-18-10-12)15-13-2-5-14(6-3-13)16-7-8-17-14/h4,9-11,13,15H,2-3,5-8H2,1H3
InChIKeyNWIAEEMCFGIFJN-UHFFFAOYSA-N
XLogP3.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-3-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(1-thiophen-3-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 62842188) is N-(1-thiophen-3-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(1-thiophen-3-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(1-thiophen-3-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine is CC(NC1CCC2(CC1)OCCO2)c1ccsc1.
What is the InChIKey of N-(1-thiophen-3-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is NWIAEEMCFGIFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11(12-4-9-18-10-12)15-13-2-5-14(6-3-13)16-7-8-17-14/h4,9-11,13,15H,2-3,5-8H2,1H3.
What are the key properties of N-(1-thiophen-3-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-(1-thiophen-3-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 267.39 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-3-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 62842188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).