3-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione

C29H41N3O4S2 — CID 10482919

IUPAC3-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
SMILESCSCCC1NC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O
InChIInChI=1S/C29H41N3O4S2/c1-27(2)21-9-12-29(27,24(18-21)32-25(33)23(10-17-37-3)30-26(32)34)19-38(35,36)31-15-13-28(14-16-31)11-8-20-6-4-5-7-22(20)28/h4-7,21,23-24H,8-19H2,1-3H3,(H,30,34)/t21-,23?,24+,29-/m1/s1
InChIKeyKBOXAMMHOWVAMR-AHJBDCKWSA-N
MW559.80 g/mol
LogP4.16
Rot. Bonds7

About 3-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione

3-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione (PubChem CID 10482919) has the molecular formula C29H41N3O4S2 and a molecular weight of 559.80 g/mol. Its IUPAC name is 3-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
PubChem CID10482919
Molecular FormulaC29H41N3O4S2
Molecular Weight559.80 g/mol
Exact Mass559.25
IUPAC Name3-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
SMILESCSCCC1NC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O
InChIInChI=1S/C29H41N3O4S2/c1-27(2)21-9-12-29(27,24(18-21)32-25(33)23(10-17-37-3)30-26(32)34)19-38(35,36)31-15-13-28(14-16-31)11-8-20-6-4-5-7-22(20)28/h4-7,21,23-24H,8-19H2,1-3H3,(H,30,34)/t21-,23?,24+,29-/m1/s1
InChIKeyKBOXAMMHOWVAMR-AHJBDCKWSA-N
XLogP4.16
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.80
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 3-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione 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

(1S,2R,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 10386472
(2R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 70073095
3-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-1-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione
CID 10370697
1'-[[(1S,4R)-7,7-dimethyl-2-nitroso-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]spiro[1,2-dihydroindene-3,4'-piperidine]
CID 91929295
3-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-4-hydroxy-5-(pyridin-3-ylmethyl)-1H-imidazol-2-one
CID 91929293
N-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 11755934
(2R)-2-[[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]carbamoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylsulfanylbutanoic acid
CID 10349571
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]urea
CID 10030575
N-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-2-pyridin-2-ylacetamide
CID 10414380
(2R)-2-amino-N-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-4-methylsulfonylbutanamide
CID 10483039
(5S)-3-[(1R,2S)-2-methyl-2-(2-methylphenyl)cyclopropyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 100677976
N-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-2-(1-methylimidazol-4-yl)-N-(2-methylsulfonylethyl)acetamide
CID 11764606

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione (CID 10482919) is 3-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione is CSCCC1NC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O.
What is the InChIKey of 3-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
The InChIKey is KBOXAMMHOWVAMR-AHJBDCKWSA-N. The full InChI is InChI=1S/C29H41N3O4S2/c1-27(2)21-9-12-29(27,24(18-21)32-25(33)23(10-17-37-3)30-26(32)34)19-38(35,36)31-15-13-28(14-16-31)11-8-20-6-4-5-7-22(20)28/h4-7,21,23-24H,8-19H2,1-3H3,(H,30,34)/t21-,23?,24+,29-/m1/s1.
What are the key properties of 3-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
3-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione has a molecular weight of 559.80 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 10482919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).