4-[[(3S,8R)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methylamino]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide

C19H23F3N4O2S2 — CID 118109335

IUPAC4-[[(3S,8R)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methylamino]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESC[C@H]1CC[C@@]2(CNc3ccc(S(=O)(=O)Nc4nccs4)cc3C(F)(F)F)CCCN12
InChIInChI=1S/C19H23F3N4O2S2/c1-13-5-7-18(6-2-9-26(13)18)12-24-16-4-3-14(11-15(16)19(20,21)22)30(27,28)25-17-23-8-10-29-17/h3-4,8,10-11,13,24H,2,5-7,9,12H2,1H3,(H,23,25)/t13-,18+/m0/s1
InChIKeyCZZVYRAJBHRGRK-SCLBCKFNSA-N
MW460.55 g/mol
LogP4.39
Rot. Bonds6

About 4-[[(3S,8R)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methylamino]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide

4-[[(3S,8R)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methylamino]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 118109335) has the molecular formula C19H23F3N4O2S2 and a molecular weight of 460.55 g/mol. Its IUPAC name is 4-[[(3S,8R)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methylamino]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[(3S,8R)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methylamino]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID118109335
Molecular FormulaC19H23F3N4O2S2
Molecular Weight460.55 g/mol
Exact Mass460.12
IUPAC Name4-[[(3S,8R)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methylamino]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESC[C@H]1CC[C@@]2(CNc3ccc(S(=O)(=O)Nc4nccs4)cc3C(F)(F)F)CCCN12
InChIInChI=1S/C19H23F3N4O2S2/c1-13-5-7-18(6-2-9-26(13)18)12-24-16-4-3-14(11-15(16)19(20,21)22)30(27,28)25-17-23-8-10-29-17/h3-4,8,10-11,13,24H,2,5-7,9,12H2,1H3,(H,23,25)/t13-,18+/m0/s1
InChIKeyCZZVYRAJBHRGRK-SCLBCKFNSA-N
XLogP4.39
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[(3S,8R)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methylamino]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide 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

3-chloro-2-fluoro-4-[[3-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 118109438
3-cyano-4-[[(8R)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 118109136
3-cyano-4-[(6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 118109138
5-chloro-4-[(6-ethyl-6-fluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methylamino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 137419646
3-chloro-4-[(6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methylamino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 118109453
5-ethyl-2-fluoro-4-[[(2R,8S)-2-[(4-methoxyphenyl)methyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 118109004
4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 166217835
5-cyano-4-[(6,6-dimethyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methylamino]-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide
CID 140761473
5-chloro-2-fluoro-4-[[(2S,8S)-2-(4-methoxyphenyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 118109196
4-chloro-3-[(cyclopropylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031911
3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 114263537
3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43256868

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S,8R)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methylamino]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-[[(3S,8R)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methylamino]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 118109335) is 4-[[(3S,8R)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methylamino]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-[[(3S,8R)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methylamino]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-[[(3S,8R)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methylamino]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide is C[C@H]1CC[C@@]2(CNc3ccc(S(=O)(=O)Nc4nccs4)cc3C(F)(F)F)CCCN12.
What is the InChIKey of 4-[[(3S,8R)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methylamino]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CZZVYRAJBHRGRK-SCLBCKFNSA-N. The full InChI is InChI=1S/C19H23F3N4O2S2/c1-13-5-7-18(6-2-9-26(13)18)12-24-16-4-3-14(11-15(16)19(20,21)22)30(27,28)25-17-23-8-10-29-17/h3-4,8,10-11,13,24H,2,5-7,9,12H2,1H3,(H,23,25)/t13-,18+/m0/s1.
What are the key properties of 4-[[(3S,8R)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methylamino]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide?
4-[[(3S,8R)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methylamino]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 460.55 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S,8R)-3-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methylamino]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118109335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).