(1'S,4R,10'R)-5'-tert-butyl-2-cyclopentylspiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide

C23H34N2O2S — CID 58742124

IUPAC(1'S,4R,10'R)-5'-tert-butyl-2-cyclopentylspiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide
SMILESCC(C)(C)c1ccc2c(c1)C[C@@H]1CC[C@H](C2)[C@]12CN(C1CCCC1)S(=O)(=O)N2
InChIInChI=1S/C23H34N2O2S/c1-22(2,3)18-9-8-16-12-19-10-11-20(14-17(16)13-18)23(19)15-25(28(26,27)24-23)21-6-4-5-7-21/h8-9,13,19-21,24H,4-7,10-12,14-15H2,1-3H3/t19-,20+,23-/m1/s1
InChIKeySTTREBAIFRJGLD-ZRCGQRJVSA-N
MW402.60 g/mol
LogP3.94
Rot. Bonds1

About (1'S,4R,10'R)-5'-tert-butyl-2-cyclopentylspiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide

(1'S,4R,10'R)-5'-tert-butyl-2-cyclopentylspiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide (PubChem CID 58742124) has the molecular formula C23H34N2O2S and a molecular weight of 402.60 g/mol. Its IUPAC name is (1'S,4R,10'R)-5'-tert-butyl-2-cyclopentylspiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide.

Molecular Properties

Compound Name(1'S,4R,10'R)-5'-tert-butyl-2-cyclopentylspiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide
PubChem CID58742124
Molecular FormulaC23H34N2O2S
Molecular Weight402.60 g/mol
Exact Mass402.23
IUPAC Name(1'S,4R,10'R)-5'-tert-butyl-2-cyclopentylspiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide
SMILESCC(C)(C)c1ccc2c(c1)C[C@@H]1CC[C@H](C2)[C@]12CN(C1CCCC1)S(=O)(=O)N2
InChIInChI=1S/C23H34N2O2S/c1-22(2,3)18-9-8-16-12-19-10-11-20(14-17(16)13-18)23(19)15-25(28(26,27)24-23)21-6-4-5-7-21/h8-9,13,19-21,24H,4-7,10-12,14-15H2,1-3H3/t19-,20+,23-/m1/s1
InChIKeySTTREBAIFRJGLD-ZRCGQRJVSA-N
XLogP3.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.60
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1'S,4R,10'R)-5'-tert-butyl-2-cyclopentylspiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide with MolForge

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Related Compounds

(1'R,4R,10'S)-N'-hydroxy-1,1-dioxo-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene]-5'-carboximidamide
CID 162134747
(1'R,4R,10'S)-1,1-dioxo-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene]-5'-carbohydrazide
CID 71121126
5'-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide
CID 23571175
ethyl 3-[(1'R,4R,10'S)-1,1-dioxo-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene]-5'-yl]-3-oxopropanoate
CID 71121156
5'-[5-(4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide
CID 23571209
(1'S,4R,10'R)-5'-[(E)-3-morpholin-4-ylprop-1-enyl]-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide
CID 58742066
(4R,10'S)-2-(2,2,2-trifluoroethyl)-5'-[(E)-3-[4-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide
CID 134694943
(1'R,4R,10'S)-5'-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-2-propylspiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide
CID 91092789
(1'S,4R,10'R)-5'-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide
CID 58631389
5'-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide
CID 23571214
(1'R,4R,10'S)-5'-[(E)-3-[1-oxido-4-(trifluoromethyl)piperidin-1-ium-1-yl]prop-1-enyl]-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide
CID 89268409
2,2,5-tritert-butyl-1,3-dihydroindene
CID 165164993

Frequently Asked Questions

What is the IUPAC name of (1'S,4R,10'R)-5'-tert-butyl-2-cyclopentylspiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide?
The IUPAC name of (1'S,4R,10'R)-5'-tert-butyl-2-cyclopentylspiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide (CID 58742124) is (1'S,4R,10'R)-5'-tert-butyl-2-cyclopentylspiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide.
What is the SMILES notation for (1'S,4R,10'R)-5'-tert-butyl-2-cyclopentylspiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide?
The canonical SMILES for (1'S,4R,10'R)-5'-tert-butyl-2-cyclopentylspiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide is CC(C)(C)c1ccc2c(c1)C[C@@H]1CC[C@H](C2)[C@]12CN(C1CCCC1)S(=O)(=O)N2.
What is the InChIKey of (1'S,4R,10'R)-5'-tert-butyl-2-cyclopentylspiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide?
The InChIKey is STTREBAIFRJGLD-ZRCGQRJVSA-N. The full InChI is InChI=1S/C23H34N2O2S/c1-22(2,3)18-9-8-16-12-19-10-11-20(14-17(16)13-18)23(19)15-25(28(26,27)24-23)21-6-4-5-7-21/h8-9,13,19-21,24H,4-7,10-12,14-15H2,1-3H3/t19-,20+,23-/m1/s1.
What are the key properties of (1'S,4R,10'R)-5'-tert-butyl-2-cyclopentylspiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide?
(1'S,4R,10'R)-5'-tert-butyl-2-cyclopentylspiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide has a molecular weight of 402.60 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,4R,10'R)-5'-tert-butyl-2-cyclopentylspiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide is sourced from PubChem (CID 58742124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).