N-[2-(benzenesulfonyl)-1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide

C22H34FNO5S2 — CID 58380839

IUPACN-[2-(benzenesulfonyl)-1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCCC1(C(NS(=O)C(C)(C)C)C(F)S(=O)(=O)c2ccccc2)CCC2(CC1)OCCO2
InChIInChI=1S/C22H34FNO5S2/c1-5-21(11-13-22(14-12-21)28-15-16-29-22)18(24-30(25)20(2,3)4)19(23)31(26,27)17-9-7-6-8-10-17/h6-10,18-19,24H,5,11-16H2,1-4H3
InChIKeyRWBZKQXMSRVXCC-UHFFFAOYSA-N
MW475.65 g/mol
LogP3.89
Rot. Bonds7

About N-[2-(benzenesulfonyl)-1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide

N-[2-(benzenesulfonyl)-1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide (PubChem CID 58380839) has the molecular formula C22H34FNO5S2 and a molecular weight of 475.65 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)-1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)-1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide
PubChem CID58380839
Molecular FormulaC22H34FNO5S2
Molecular Weight475.65 g/mol
Exact Mass475.19
IUPAC NameN-[2-(benzenesulfonyl)-1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCCC1(C(NS(=O)C(C)(C)C)C(F)S(=O)(=O)c2ccccc2)CCC2(CC1)OCCO2
InChIInChI=1S/C22H34FNO5S2/c1-5-21(11-13-22(14-12-21)28-15-16-29-22)18(24-30(25)20(2,3)4)19(23)31(26,27)17-9-7-6-8-10-17/h6-10,18-19,24H,5,11-16H2,1-4H3
InChIKeyRWBZKQXMSRVXCC-UHFFFAOYSA-N
XLogP3.89
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.65
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(benzenesulfonyl)-1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide 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-(benzenesulfonyl)-1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[2-(benzenesulfonyl)-1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide (CID 58380839) is N-[2-(benzenesulfonyl)-1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)-1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[2-(benzenesulfonyl)-1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide is CCC1(C(NS(=O)C(C)(C)C)C(F)S(=O)(=O)c2ccccc2)CCC2(CC1)OCCO2.
What is the InChIKey of N-[2-(benzenesulfonyl)-1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is RWBZKQXMSRVXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34FNO5S2/c1-5-21(11-13-22(14-12-21)28-15-16-29-22)18(24-30(25)20(2,3)4)19(23)31(26,27)17-9-7-6-8-10-17/h6-10,18-19,24H,5,11-16H2,1-4H3.
What are the key properties of N-[2-(benzenesulfonyl)-1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide?
N-[2-(benzenesulfonyl)-1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 475.65 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)-1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 58380839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).