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

C11H21NO4S — CID 64646772

IUPAC7-ethylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCS(=O)(=O)C1CC2(CCC1NC)OCCO2
InChIInChI=1S/C11H21NO4S/c1-3-17(13,14)10-8-11(15-6-7-16-11)5-4-9(10)12-2/h9-10,12H,3-8H2,1-2H3
InChIKeyKMSSCDPNXQJFJS-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.30
Rot. Bonds3

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

7-ethylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 64646772) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 7-ethylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-ethylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID64646772
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name7-ethylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCS(=O)(=O)C1CC2(CCC1NC)OCCO2
InChIInChI=1S/C11H21NO4S/c1-3-17(13,14)10-8-11(15-6-7-16-11)5-4-9(10)12-2/h9-10,12H,3-8H2,1-2H3
InChIKeyKMSSCDPNXQJFJS-UHFFFAOYSA-N
XLogP0.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-ethylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 64646772) is 7-ethylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-ethylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-ethylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is CCS(=O)(=O)C1CC2(CCC1NC)OCCO2.
What is the InChIKey of 7-ethylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is KMSSCDPNXQJFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-3-17(13,14)10-8-11(15-6-7-16-11)5-4-9(10)12-2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 7-ethylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
7-ethylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 263.36 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 64646772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).