N-methyl-7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine

C10H19NO4S — CID 62786464

IUPACN-methyl-7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCNC1CCC2(CC1S(C)(=O)=O)OCCO2
InChIInChI=1S/C10H19NO4S/c1-11-8-3-4-10(14-5-6-15-10)7-9(8)16(2,12)13/h8-9,11H,3-7H2,1-2H3
InChIKeyRTXUTWFFDMVUNR-UHFFFAOYSA-N
MW249.33 g/mol
LogP-0.09
Rot. Bonds2

About N-methyl-7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine

N-methyl-7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 62786464) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is N-methyl-7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-methyl-7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID62786464
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC NameN-methyl-7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCNC1CCC2(CC1S(C)(=O)=O)OCCO2
InChIInChI=1S/C10H19NO4S/c1-11-8-3-4-10(14-5-6-15-10)7-9(8)16(2,12)13/h8-9,11H,3-7H2,1-2H3
InChIKeyRTXUTWFFDMVUNR-UHFFFAOYSA-N
XLogP-0.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-methyl-7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 62786464) is N-methyl-7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-methyl-7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-methyl-7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine is CNC1CCC2(CC1S(C)(=O)=O)OCCO2.
What is the InChIKey of N-methyl-7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is RTXUTWFFDMVUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-11-8-3-4-10(14-5-6-15-10)7-9(8)16(2,12)13/h8-9,11H,3-7H2,1-2H3.
What are the key properties of N-methyl-7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine?
N-methyl-7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 249.33 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 62786464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).