7-(2-methyloxolan-3-yl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine

C13H23NO4S — CID 107758310

IUPAC7-(2-methyloxolan-3-yl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC1OCCC1S(=O)C1CC2(CCC1N)OCCO2
InChIInChI=1S/C13H23NO4S/c1-9-11(3-5-16-9)19(15)12-8-13(4-2-10(12)14)17-6-7-18-13/h9-12H,2-8,14H2,1H3
InChIKeyPNTRLAUCFPSZJL-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.54
Rot. Bonds2

About 7-(2-methyloxolan-3-yl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine

7-(2-methyloxolan-3-yl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 107758310) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is 7-(2-methyloxolan-3-yl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(2-methyloxolan-3-yl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID107758310
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC Name7-(2-methyloxolan-3-yl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC1OCCC1S(=O)C1CC2(CCC1N)OCCO2
InChIInChI=1S/C13H23NO4S/c1-9-11(3-5-16-9)19(15)12-8-13(4-2-10(12)14)17-6-7-18-13/h9-12H,2-8,14H2,1H3
InChIKeyPNTRLAUCFPSZJL-UHFFFAOYSA-N
XLogP0.54
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine
CID 107758269
7-(2-chlorophenyl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64659640
(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decane-7-carboxylic acid
CID 87436012
(8R)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 95431886
7-N-methyl-7-N-(4-methylcyclohexyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine
CID 61437064
7-(4,4-dimethylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 55156891
7-N,7-N-bis(2-methylpropyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine
CID 61376926
7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 104958510
7-(3,4,5-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 114537727
7-amino-1,4-dioxaspiro[4.5]decan-8-ol
CID 76655508
(8S)-1,4-dioxaspiro[4.4]nonane-8-carboxamide
CID 158487306
7-N-(2-methoxyethyl)-7-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine
CID 61427088

Frequently Asked Questions

What is the IUPAC name of 7-(2-methyloxolan-3-yl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(2-methyloxolan-3-yl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 107758310) is 7-(2-methyloxolan-3-yl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(2-methyloxolan-3-yl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(2-methyloxolan-3-yl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine is CC1OCCC1S(=O)C1CC2(CCC1N)OCCO2.
What is the InChIKey of 7-(2-methyloxolan-3-yl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is PNTRLAUCFPSZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4S/c1-9-11(3-5-16-9)19(15)12-8-13(4-2-10(12)14)17-6-7-18-13/h9-12H,2-8,14H2,1H3.
What are the key properties of 7-(2-methyloxolan-3-yl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine?
7-(2-methyloxolan-3-yl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 289.40 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methyloxolan-3-yl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 107758310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).