N-[(1R)-5-hydroxy-2,2,5,7-tetramethyl-4-oxospiro[1H-indene-6,1'-cyclopropane]-1-yl]methanesulfonamide

C16H23NO4S — CID 176846376

IUPACN-[(1R)-5-hydroxy-2,2,5,7-tetramethyl-4-oxospiro[1H-indene-6,1'-cyclopropane]-1-yl]methanesulfonamide
SMILESCC1=C2C(=CC(C)(C)[C@H]2NS(C)(=O)=O)C(=O)C(C)(O)C12CC2
InChIInChI=1S/C16H23NO4S/c1-9-11-10(13(18)15(4,19)16(9)6-7-16)8-14(2,3)12(11)17-22(5,20)21/h8,12,17,19H,6-7H2,1-5H3/t12-,15?/m0/s1
InChIKeyZRFITKGUXJSTJZ-SFVWDYPZSA-N
MW325.43 g/mol
LogP1.30
Rot. Bonds2

About N-[(1R)-5-hydroxy-2,2,5,7-tetramethyl-4-oxospiro[1H-indene-6,1'-cyclopropane]-1-yl]methanesulfonamide

N-[(1R)-5-hydroxy-2,2,5,7-tetramethyl-4-oxospiro[1H-indene-6,1'-cyclopropane]-1-yl]methanesulfonamide (PubChem CID 176846376) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[(1R)-5-hydroxy-2,2,5,7-tetramethyl-4-oxospiro[1H-indene-6,1'-cyclopropane]-1-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-5-hydroxy-2,2,5,7-tetramethyl-4-oxospiro[1H-indene-6,1'-cyclopropane]-1-yl]methanesulfonamide
PubChem CID176846376
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC NameN-[(1R)-5-hydroxy-2,2,5,7-tetramethyl-4-oxospiro[1H-indene-6,1'-cyclopropane]-1-yl]methanesulfonamide
SMILESCC1=C2C(=CC(C)(C)[C@H]2NS(C)(=O)=O)C(=O)C(C)(O)C12CC2
InChIInChI=1S/C16H23NO4S/c1-9-11-10(13(18)15(4,19)16(9)6-7-16)8-14(2,3)12(11)17-22(5,20)21/h8,12,17,19H,6-7H2,1-5H3/t12-,15?/m0/s1
InChIKeyZRFITKGUXJSTJZ-SFVWDYPZSA-N
XLogP1.30
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-hydroxy-2,2,5,7-tetramethyl-4-oxospiro[1H-indene-6,1'-cyclopropane]-1-yl]methanesulfonamide?
The IUPAC name of N-[(1R)-5-hydroxy-2,2,5,7-tetramethyl-4-oxospiro[1H-indene-6,1'-cyclopropane]-1-yl]methanesulfonamide (CID 176846376) is N-[(1R)-5-hydroxy-2,2,5,7-tetramethyl-4-oxospiro[1H-indene-6,1'-cyclopropane]-1-yl]methanesulfonamide.
What is the SMILES notation for N-[(1R)-5-hydroxy-2,2,5,7-tetramethyl-4-oxospiro[1H-indene-6,1'-cyclopropane]-1-yl]methanesulfonamide?
The canonical SMILES for N-[(1R)-5-hydroxy-2,2,5,7-tetramethyl-4-oxospiro[1H-indene-6,1'-cyclopropane]-1-yl]methanesulfonamide is CC1=C2C(=CC(C)(C)[C@H]2NS(C)(=O)=O)C(=O)C(C)(O)C12CC2.
What is the InChIKey of N-[(1R)-5-hydroxy-2,2,5,7-tetramethyl-4-oxospiro[1H-indene-6,1'-cyclopropane]-1-yl]methanesulfonamide?
The InChIKey is ZRFITKGUXJSTJZ-SFVWDYPZSA-N. The full InChI is InChI=1S/C16H23NO4S/c1-9-11-10(13(18)15(4,19)16(9)6-7-16)8-14(2,3)12(11)17-22(5,20)21/h8,12,17,19H,6-7H2,1-5H3/t12-,15?/m0/s1.
What are the key properties of N-[(1R)-5-hydroxy-2,2,5,7-tetramethyl-4-oxospiro[1H-indene-6,1'-cyclopropane]-1-yl]methanesulfonamide?
N-[(1R)-5-hydroxy-2,2,5,7-tetramethyl-4-oxospiro[1H-indene-6,1'-cyclopropane]-1-yl]methanesulfonamide has a molecular weight of 325.43 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-hydroxy-2,2,5,7-tetramethyl-4-oxospiro[1H-indene-6,1'-cyclopropane]-1-yl]methanesulfonamide is sourced from PubChem (CID 176846376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).