2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanesulfonamide

C10H20N2O4S — CID 43551819

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C10H20N2O4S/c11-17(13,14)8-5-12-9-1-3-10(4-2-9)15-6-7-16-10/h9,12H,1-8H2,(H2,11,13,14)
InChIKeyXPNDJIJWSDHSPM-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.45
Rot. Bonds4

About 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanesulfonamide

2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanesulfonamide (PubChem CID 43551819) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanesulfonamide
PubChem CID43551819
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C10H20N2O4S/c11-17(13,14)8-5-12-9-1-3-10(4-2-9)15-6-7-16-10/h9,12H,1-8H2,(H2,11,13,14)
InChIKeyXPNDJIJWSDHSPM-UHFFFAOYSA-N
XLogP-0.45
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanesulfonamide 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 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanesulfonamide?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanesulfonamide (CID 43551819) is 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanesulfonamide.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanesulfonamide?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanesulfonamide is NS(=O)(=O)CCNC1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanesulfonamide?
The InChIKey is XPNDJIJWSDHSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c11-17(13,14)8-5-12-9-1-3-10(4-2-9)15-6-7-16-10/h9,12H,1-8H2,(H2,11,13,14).
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanesulfonamide?
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanesulfonamide has a molecular weight of 264.35 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanesulfonamide is sourced from PubChem (CID 43551819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).