(1R)-1-(tert-butylsulfamoylamino)-7-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid

C18H26FN3O4S — CID 139512598

IUPAC(1R)-1-(tert-butylsulfamoylamino)-7-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid
SMILESCC(C)(C)NS(=O)(=O)N[C@H]1c2c(F)cccc2CC12CCN(C(=O)O)CC2
InChIInChI=1S/C18H26FN3O4S/c1-17(2,3)21-27(25,26)20-15-14-12(5-4-6-13(14)19)11-18(15)7-9-22(10-8-18)16(23)24/h4-6,15,20-21H,7-11H2,1-3H3,(H,23,24)/t15-/m0/s1
InChIKeyOKVSKLIJAZFDDP-HNNXBMFYSA-N
MW399.49 g/mol
LogP2.41
Rot. Bonds3

About (1R)-1-(tert-butylsulfamoylamino)-7-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid

(1R)-1-(tert-butylsulfamoylamino)-7-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid (PubChem CID 139512598) has the molecular formula C18H26FN3O4S and a molecular weight of 399.49 g/mol. Its IUPAC name is (1R)-1-(tert-butylsulfamoylamino)-7-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name(1R)-1-(tert-butylsulfamoylamino)-7-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid
PubChem CID139512598
Molecular FormulaC18H26FN3O4S
Molecular Weight399.49 g/mol
Exact Mass399.16
IUPAC Name(1R)-1-(tert-butylsulfamoylamino)-7-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid
SMILESCC(C)(C)NS(=O)(=O)N[C@H]1c2c(F)cccc2CC12CCN(C(=O)O)CC2
InChIInChI=1S/C18H26FN3O4S/c1-17(2,3)21-27(25,26)20-15-14-12(5-4-6-13(14)19)11-18(15)7-9-22(10-8-18)16(23)24/h4-6,15,20-21H,7-11H2,1-3H3,(H,23,24)/t15-/m0/s1
InChIKeyOKVSKLIJAZFDDP-HNNXBMFYSA-N
XLogP2.41
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(tert-butylsulfamoylamino)-7-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid with MolForge

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Related Compounds

t-Butyl 3-amino-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate hydrochloride
CID 18476130
Tert-butyl 3-amino-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
CID 18476131
Tert-butyl 3-amino-6-fluoro-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
CID 49760926
[6-(aminomethyl)-1-benzyl-5-fluoro-2,3-dihydro-1H-inden-2-yl]-ethylcarbamic acid
CID 66740883
2-Tert-butyl-3-(4-fluoro-2-methylphenyl)piperazine-1-carboxylic acid
CID 71145686
(2S)-2-tert-butyl-3-(4-fluoro-2-methylphenyl)piperazine-1-carboxylic acid
CID 71145687
tert-butyl-[(2,4,7-trifluoro-2,3-dihydro-1H-inden-1-yl)sulfamoyl]carbamic acid
CID 117736851
(1S)-6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid
CID 139512035
Spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid)
CID 139512147
[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid
CID 139512164
[(1S)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid
CID 139512326
tert-butyl N-[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate
CID 147159931

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(tert-butylsulfamoylamino)-7-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of (1R)-1-(tert-butylsulfamoylamino)-7-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid (CID 139512598) is (1R)-1-(tert-butylsulfamoylamino)-7-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for (1R)-1-(tert-butylsulfamoylamino)-7-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for (1R)-1-(tert-butylsulfamoylamino)-7-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid is CC(C)(C)NS(=O)(=O)N[C@H]1c2c(F)cccc2CC12CCN(C(=O)O)CC2.
What is the InChIKey of (1R)-1-(tert-butylsulfamoylamino)-7-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid?
The InChIKey is OKVSKLIJAZFDDP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26FN3O4S/c1-17(2,3)21-27(25,26)20-15-14-12(5-4-6-13(14)19)11-18(15)7-9-22(10-8-18)16(23)24/h4-6,15,20-21H,7-11H2,1-3H3,(H,23,24)/t15-/m0/s1.
What are the key properties of (1R)-1-(tert-butylsulfamoylamino)-7-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid?
(1R)-1-(tert-butylsulfamoylamino)-7-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid has a molecular weight of 399.49 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(tert-butylsulfamoylamino)-7-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 139512598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).