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

C9H17NO4S — CID 62784748

IUPAC7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCS(=O)(=O)C1CC2(CCC1N)OCCO2
InChIInChI=1S/C9H17NO4S/c1-15(11,12)8-6-9(3-2-7(8)10)13-4-5-14-9/h7-8H,2-6,10H2,1H3
InChIKeyMVQJVVKTGCRMJC-UHFFFAOYSA-N
MW235.30 g/mol
LogP-0.35
Rot. Bonds1

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

7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 62784748) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID62784748
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCS(=O)(=O)C1CC2(CCC1N)OCCO2
InChIInChI=1S/C9H17NO4S/c1-15(11,12)8-6-9(3-2-7(8)10)13-4-5-14-9/h7-8H,2-6,10H2,1H3
InChIKeyMVQJVVKTGCRMJC-UHFFFAOYSA-N
XLogP-0.35
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 62784748) is 7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine is CS(=O)(=O)C1CC2(CCC1N)OCCO2.
What is the InChIKey of 7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is MVQJVVKTGCRMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-15(11,12)8-6-9(3-2-7(8)10)13-4-5-14-9/h7-8H,2-6,10H2,1H3.
What are the key properties of 7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine?
7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 235.30 g/mol, XLogP of -0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 62784748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).