7-(benzenesulfonyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

C15H21NO4S — CID 62918057

IUPAC7-(benzenesulfonyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCNC1CCC2(CC1S(=O)(=O)c1ccccc1)OCCO2
InChIInChI=1S/C15H21NO4S/c1-16-13-7-8-15(19-9-10-20-15)11-14(13)21(17,18)12-5-3-2-4-6-12/h2-6,13-14,16H,7-11H2,1H3
InChIKeyGWSAFHDEQJLUBY-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.34
Rot. Bonds3

About 7-(benzenesulfonyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

7-(benzenesulfonyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 62918057) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(benzenesulfonyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID62918057
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name7-(benzenesulfonyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCNC1CCC2(CC1S(=O)(=O)c1ccccc1)OCCO2
InChIInChI=1S/C15H21NO4S/c1-16-13-7-8-15(19-9-10-20-15)11-14(13)21(17,18)12-5-3-2-4-6-12/h2-6,13-14,16H,7-11H2,1H3
InChIKeyGWSAFHDEQJLUBY-UHFFFAOYSA-N
XLogP1.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(benzenesulfonyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 62918057) is 7-(benzenesulfonyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(benzenesulfonyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(benzenesulfonyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is CNC1CCC2(CC1S(=O)(=O)c1ccccc1)OCCO2.
What is the InChIKey of 7-(benzenesulfonyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is GWSAFHDEQJLUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-16-13-7-8-15(19-9-10-20-15)11-14(13)21(17,18)12-5-3-2-4-6-12/h2-6,13-14,16H,7-11H2,1H3.
What are the key properties of 7-(benzenesulfonyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
7-(benzenesulfonyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 311.40 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 62918057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).