N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylsulfonylpiperidin-4-amine

C14H26N2O4S — CID 43628822

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NC2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C14H26N2O4S/c1-21(17,18)16-8-4-13(5-9-16)15-12-2-6-14(7-3-12)19-10-11-20-14/h12-13,15H,2-11H2,1H3
InChIKeyHCXZRCQVDZFCED-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.69
Rot. Bonds3

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

N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylsulfonylpiperidin-4-amine (PubChem CID 43628822) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylsulfonylpiperidin-4-amine
PubChem CID43628822
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NC2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C14H26N2O4S/c1-21(17,18)16-8-4-13(5-9-16)15-12-2-6-14(7-3-12)19-10-11-20-14/h12-13,15H,2-11H2,1H3
InChIKeyHCXZRCQVDZFCED-UHFFFAOYSA-N
XLogP0.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylsulfonylpiperidin-4-amine (CID 43628822) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylsulfonylpiperidin-4-amine is CS(=O)(=O)N1CCC(NC2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylsulfonylpiperidin-4-amine?
The InChIKey is HCXZRCQVDZFCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-21(17,18)16-8-4-13(5-9-16)15-12-2-6-14(7-3-12)19-10-11-20-14/h12-13,15H,2-11H2,1H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylsulfonylpiperidin-4-amine?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylsulfonylpiperidin-4-amine has a molecular weight of 318.44 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43628822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).