(1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid

C18H26N2O3S — CID 146485682

IUPAC(1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid
SMILESCC(C)(C)S(=O)N[C@@H]1c2ccccc2CC12CCN(C(=O)O)CC2
InChIInChI=1S/C18H26N2O3S/c1-17(2,3)24(23)19-15-14-7-5-4-6-13(14)12-18(15)8-10-20(11-9-18)16(21)22/h4-7,15,19H,8-12H2,1-3H3,(H,21,22)/t15-,24?/m1/s1
InChIKeyYYQQWFZAHFVPOP-GZAIGYLVSA-N
MW350.48 g/mol
LogP3.10
Rot. Bonds2

About (1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid

(1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid (PubChem CID 146485682) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is (1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name(1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid
PubChem CID146485682
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name(1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid
SMILESCC(C)(C)S(=O)N[C@@H]1c2ccccc2CC12CCN(C(=O)O)CC2
InChIInChI=1S/C18H26N2O3S/c1-17(2,3)24(23)19-15-14-7-5-4-6-13(14)12-18(15)8-10-20(11-9-18)16(21)22/h4-7,15,19H,8-12H2,1-3H3,(H,21,22)/t15-,24?/m1/s1
InChIKeyYYQQWFZAHFVPOP-GZAIGYLVSA-N
XLogP3.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of (1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid (CID 146485682) is (1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for (1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for (1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid is CC(C)(C)S(=O)N[C@@H]1c2ccccc2CC12CCN(C(=O)O)CC2.
What is the InChIKey of (1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid?
The InChIKey is YYQQWFZAHFVPOP-GZAIGYLVSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-17(2,3)24(23)19-15-14-7-5-4-6-13(14)12-18(15)8-10-20(11-9-18)16(21)22/h4-7,15,19H,8-12H2,1-3H3,(H,21,22)/t15-,24?/m1/s1.
What are the key properties of (1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid?
(1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid has a molecular weight of 350.48 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 146485682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).