N-methyl-7-pyridin-2-ylsulfanyl-1,4-dioxaspiro[4.5]decan-8-amine

C14H20N2O2S — CID 64647940

IUPACN-methyl-7-pyridin-2-ylsulfanyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCNC1CCC2(CC1Sc1ccccn1)OCCO2
InChIInChI=1S/C14H20N2O2S/c1-15-11-5-6-14(17-8-9-18-14)10-12(11)19-13-4-2-3-7-16-13/h2-4,7,11-12,15H,5-6,8-10H2,1H3
InChIKeyJIKYUCRWSRMHAR-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.06
Rot. Bonds3

About N-methyl-7-pyridin-2-ylsulfanyl-1,4-dioxaspiro[4.5]decan-8-amine

N-methyl-7-pyridin-2-ylsulfanyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 64647940) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-methyl-7-pyridin-2-ylsulfanyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-methyl-7-pyridin-2-ylsulfanyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID64647940
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-methyl-7-pyridin-2-ylsulfanyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCNC1CCC2(CC1Sc1ccccn1)OCCO2
InChIInChI=1S/C14H20N2O2S/c1-15-11-5-6-14(17-8-9-18-14)10-12(11)19-13-4-2-3-7-16-13/h2-4,7,11-12,15H,5-6,8-10H2,1H3
InChIKeyJIKYUCRWSRMHAR-UHFFFAOYSA-N
XLogP2.06
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7-pyridin-2-ylsulfanyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-methyl-7-pyridin-2-ylsulfanyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 64647940) is N-methyl-7-pyridin-2-ylsulfanyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-methyl-7-pyridin-2-ylsulfanyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-methyl-7-pyridin-2-ylsulfanyl-1,4-dioxaspiro[4.5]decan-8-amine is CNC1CCC2(CC1Sc1ccccn1)OCCO2.
What is the InChIKey of N-methyl-7-pyridin-2-ylsulfanyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is JIKYUCRWSRMHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-15-11-5-6-14(17-8-9-18-14)10-12(11)19-13-4-2-3-7-16-13/h2-4,7,11-12,15H,5-6,8-10H2,1H3.
What are the key properties of N-methyl-7-pyridin-2-ylsulfanyl-1,4-dioxaspiro[4.5]decan-8-amine?
N-methyl-7-pyridin-2-ylsulfanyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 280.39 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-pyridin-2-ylsulfanyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 64647940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).