N-(1,4-dioxaspiro[4.5]decan-8-yl)methanesulfonamide

C9H17NO4S — CID 47319515

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C9H17NO4S/c1-15(11,12)10-8-2-4-9(5-3-8)13-6-7-14-9/h8,10H,2-7H2,1H3
InChIKeyGLWXGDIWJSKHKR-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.22
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)methanesulfonamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)methanesulfonamide (PubChem CID 47319515) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)methanesulfonamide
PubChem CID47319515
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C9H17NO4S/c1-15(11,12)10-8-2-4-9(5-3-8)13-6-7-14-9/h8,10H,2-7H2,1H3
InChIKeyGLWXGDIWJSKHKR-UHFFFAOYSA-N
XLogP0.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)methanesulfonamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)methanesulfonamide (CID 47319515) is N-(1,4-dioxaspiro[4.5]decan-8-yl)methanesulfonamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)methanesulfonamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)methanesulfonamide is CS(=O)(=O)NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)methanesulfonamide?
The InChIKey is GLWXGDIWJSKHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-15(11,12)10-8-2-4-9(5-3-8)13-6-7-14-9/h8,10H,2-7H2,1H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)methanesulfonamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)methanesulfonamide has a molecular weight of 235.30 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)methanesulfonamide is sourced from PubChem (CID 47319515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).