N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylsulfonylpyridin-3-amine

C14H20N2O4S — CID 43675285

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylsulfonylpyridin-3-amine
SMILESCS(=O)(=O)c1ccc(NC2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C14H20N2O4S/c1-21(17,18)13-3-2-12(10-15-13)16-11-4-6-14(7-5-11)19-8-9-20-14/h2-3,10-11,16H,4-9H2,1H3
InChIKeyMSTOPERBNKYOSA-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.58
Rot. Bonds3

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylsulfonylpyridin-3-amine

N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylsulfonylpyridin-3-amine (PubChem CID 43675285) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylsulfonylpyridin-3-amine.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylsulfonylpyridin-3-amine
PubChem CID43675285
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylsulfonylpyridin-3-amine
SMILESCS(=O)(=O)c1ccc(NC2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C14H20N2O4S/c1-21(17,18)13-3-2-12(10-15-13)16-11-4-6-14(7-5-11)19-8-9-20-14/h2-3,10-11,16H,4-9H2,1H3
InChIKeyMSTOPERBNKYOSA-UHFFFAOYSA-N
XLogP1.58
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylsulfonylpyridin-3-amine?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylsulfonylpyridin-3-amine (CID 43675285) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylsulfonylpyridin-3-amine.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylsulfonylpyridin-3-amine?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylsulfonylpyridin-3-amine is CS(=O)(=O)c1ccc(NC2CCC3(CC2)OCCO3)cn1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylsulfonylpyridin-3-amine?
The InChIKey is MSTOPERBNKYOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-21(17,18)13-3-2-12(10-15-13)16-11-4-6-14(7-5-11)19-8-9-20-14/h2-3,10-11,16H,4-9H2,1H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylsulfonylpyridin-3-amine?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylsulfonylpyridin-3-amine has a molecular weight of 312.39 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylsulfonylpyridin-3-amine is sourced from PubChem (CID 43675285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).