[8-[3-(trifluoromethyl)phenyl]sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-(cyclopropylmethyl)carbamate

C19H22F3N3O5S — CID 91022279

IUPAC[8-[3-(trifluoromethyl)phenyl]sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-(cyclopropylmethyl)carbamate
SMILESO=C(NCC1CC1)OC1=CC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)ON1
InChIInChI=1S/C19H22F3N3O5S/c20-19(21,22)14-2-1-3-15(10-14)31(27,28)25-8-6-18(7-9-25)11-16(24-30-18)29-17(26)23-12-13-4-5-13/h1-3,10-11,13,24H,4-9,12H2,(H,23,26)
InChIKeyFEUIBARMYQDWEJ-UHFFFAOYSA-N
MW461.46 g/mol
LogP2.74
Rot. Bonds5

About [8-[3-(trifluoromethyl)phenyl]sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-(cyclopropylmethyl)carbamate

[8-[3-(trifluoromethyl)phenyl]sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-(cyclopropylmethyl)carbamate (PubChem CID 91022279) has the molecular formula C19H22F3N3O5S and a molecular weight of 461.46 g/mol. Its IUPAC name is [8-[3-(trifluoromethyl)phenyl]sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-(cyclopropylmethyl)carbamate.

Molecular Properties

Compound Name[8-[3-(trifluoromethyl)phenyl]sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-(cyclopropylmethyl)carbamate
PubChem CID91022279
Molecular FormulaC19H22F3N3O5S
Molecular Weight461.46 g/mol
Exact Mass461.12
IUPAC Name[8-[3-(trifluoromethyl)phenyl]sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-(cyclopropylmethyl)carbamate
SMILESO=C(NCC1CC1)OC1=CC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)ON1
InChIInChI=1S/C19H22F3N3O5S/c20-19(21,22)14-2-1-3-15(10-14)31(27,28)25-8-6-18(7-9-25)11-16(24-30-18)29-17(26)23-12-13-4-5-13/h1-3,10-11,13,24H,4-9,12H2,(H,23,26)
InChIKeyFEUIBARMYQDWEJ-UHFFFAOYSA-N
XLogP2.74
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [8-[3-(trifluoromethyl)phenyl]sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-(cyclopropylmethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate
CID 2810477
Tert-butyl (1-((3-(trifluoromethyl)phenyl)sulfonyl)piperidin-4-yl)carbamate
CID 58235962
[8-[3-(trifluoromethyl)phenyl]sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl] N-(cyclopropylmethyl)carbamate
CID 69770425
1-(Cyclopropylmethyl)-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxyurea
CID 87275493
[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino] N-cyclopropylcarbamate
CID 87366736
[8-(5-fluoro-2-methylphenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-[2-(dimethylamino)ethyl]carbamate
CID 90862718
[8-(5-fluoro-2-methylphenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-(2-acetamidoethyl)carbamate
CID 90980871
N-(cyclopropylmethyl)-8-[3-(trifluoromethyl)phenyl]sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91208149
tert-butyl N-({1-[3-(trifluoromethyl)benzenesulfonyl]piperidin-2-yl}methyl)carbamate
CID 56185996
[8-(4-methylphenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-[2-(dimethylamino)ethyl]carbamate
CID 90759868

Frequently Asked Questions

What is the IUPAC name of [8-[3-(trifluoromethyl)phenyl]sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-(cyclopropylmethyl)carbamate?
The IUPAC name of [8-[3-(trifluoromethyl)phenyl]sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-(cyclopropylmethyl)carbamate (CID 91022279) is [8-[3-(trifluoromethyl)phenyl]sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-(cyclopropylmethyl)carbamate.
What is the SMILES notation for [8-[3-(trifluoromethyl)phenyl]sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-(cyclopropylmethyl)carbamate?
The canonical SMILES for [8-[3-(trifluoromethyl)phenyl]sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-(cyclopropylmethyl)carbamate is O=C(NCC1CC1)OC1=CC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)ON1.
What is the InChIKey of [8-[3-(trifluoromethyl)phenyl]sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-(cyclopropylmethyl)carbamate?
The InChIKey is FEUIBARMYQDWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O5S/c20-19(21,22)14-2-1-3-15(10-14)31(27,28)25-8-6-18(7-9-25)11-16(24-30-18)29-17(26)23-12-13-4-5-13/h1-3,10-11,13,24H,4-9,12H2,(H,23,26).
What are the key properties of [8-[3-(trifluoromethyl)phenyl]sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-(cyclopropylmethyl)carbamate?
[8-[3-(trifluoromethyl)phenyl]sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-(cyclopropylmethyl)carbamate has a molecular weight of 461.46 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[3-(trifluoromethyl)phenyl]sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-(cyclopropylmethyl)carbamate is sourced from PubChem (CID 91022279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).