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

C12H20F3NO4S — CID 83047145

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H20F3NO4S/c13-12(14,15)4-1-9-21(17,18)16-10-2-5-11(6-3-10)19-7-8-20-11/h10,16H,1-9H2
InChIKeyZIVZMLKSGDIUCW-UHFFFAOYSA-N
MW331.36 g/mol
LogP1.93
Rot. Bonds5

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

N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83047145) has the molecular formula C12H20F3NO4S and a molecular weight of 331.36 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83047145
Molecular FormulaC12H20F3NO4S
Molecular Weight331.36 g/mol
Exact Mass331.11
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H20F3NO4S/c13-12(14,15)4-1-9-21(17,18)16-10-2-5-11(6-3-10)19-7-8-20-11/h10,16H,1-9H2
InChIKeyZIVZMLKSGDIUCW-UHFFFAOYSA-N
XLogP1.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutane-1-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-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83047145) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is ZIVZMLKSGDIUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO4S/c13-12(14,15)4-1-9-21(17,18)16-10-2-5-11(6-3-10)19-7-8-20-11/h10,16H,1-9H2.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 331.36 g/mol, XLogP of 1.93, 5 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)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83047145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).