N-(2-methylsulfonylethyl)-1,4-dioxaspiro[4.5]decan-8-amine

C11H21NO4S — CID 54931878

IUPACN-(2-methylsulfonylethyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCS(=O)(=O)CCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C11H21NO4S/c1-17(13,14)9-6-12-10-2-4-11(5-3-10)15-7-8-16-11/h10,12H,2-9H2,1H3
InChIKeyTWDBLMVQIXHVCG-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.31
Rot. Bonds4

About N-(2-methylsulfonylethyl)-1,4-dioxaspiro[4.5]decan-8-amine

N-(2-methylsulfonylethyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 54931878) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID54931878
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC NameN-(2-methylsulfonylethyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCS(=O)(=O)CCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C11H21NO4S/c1-17(13,14)9-6-12-10-2-4-11(5-3-10)15-7-8-16-11/h10,12H,2-9H2,1H3
InChIKeyTWDBLMVQIXHVCG-UHFFFAOYSA-N
XLogP0.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(2-methylsulfonylethyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 54931878) is N-(2-methylsulfonylethyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(2-methylsulfonylethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(2-methylsulfonylethyl)-1,4-dioxaspiro[4.5]decan-8-amine is CS(=O)(=O)CCNC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(2-methylsulfonylethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is TWDBLMVQIXHVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-17(13,14)9-6-12-10-2-4-11(5-3-10)15-7-8-16-11/h10,12H,2-9H2,1H3.
What are the key properties of N-(2-methylsulfonylethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-(2-methylsulfonylethyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 263.36 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 54931878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).