N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]propane-2-sulfonamide

C13H25NO4S — CID 22624684

IUPACN-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCC1CCC2(CC1)OCCO2
InChIInChI=1S/C13H25NO4S/c1-11(2)19(15,16)14-8-5-12-3-6-13(7-4-12)17-9-10-18-13/h11-12,14H,3-10H2,1-2H3
InChIKeyMOJKTDKMDJXRFQ-UHFFFAOYSA-N
MW291.41 g/mol
LogP1.64
Rot. Bonds5

About N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]propane-2-sulfonamide

N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]propane-2-sulfonamide (PubChem CID 22624684) has the molecular formula C13H25NO4S and a molecular weight of 291.41 g/mol. Its IUPAC name is N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]propane-2-sulfonamide
PubChem CID22624684
Molecular FormulaC13H25NO4S
Molecular Weight291.41 g/mol
Exact Mass291.15
IUPAC NameN-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCC1CCC2(CC1)OCCO2
InChIInChI=1S/C13H25NO4S/c1-11(2)19(15,16)14-8-5-12-3-6-13(7-4-12)17-9-10-18-13/h11-12,14H,3-10H2,1-2H3
InChIKeyMOJKTDKMDJXRFQ-UHFFFAOYSA-N
XLogP1.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]propane-2-sulfonamide 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 N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]propane-2-sulfonamide (CID 22624684) is N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCC1CCC2(CC1)OCCO2.
What is the InChIKey of N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]propane-2-sulfonamide?
The InChIKey is MOJKTDKMDJXRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4S/c1-11(2)19(15,16)14-8-5-12-3-6-13(7-4-12)17-9-10-18-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]propane-2-sulfonamide?
N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]propane-2-sulfonamide has a molecular weight of 291.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]propane-2-sulfonamide is sourced from PubChem (CID 22624684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).