1-[(1S)-7-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

C18H25N3OS — CID 156626427

IUPAC1-[(1S)-7-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C[C@@H]1c2c(C#N)cccc2CC12CCNCC2)S(N)=O
InChIInChI=1S/C18H25N3OS/c1-17(2,23(20)22)11-15-16-13(4-3-5-14(16)12-19)10-18(15)6-8-21-9-7-18/h3-5,15,21H,6-11,20H2,1-2H3/t15-,23?/m1/s1
InChIKeyKODFDKBCSVJSQU-NKTHEXPSSA-N
MW331.49 g/mol
LogP2.36
Rot. Bonds3

About 1-[(1S)-7-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

1-[(1S)-7-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (PubChem CID 156626427) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 1-[(1S)-7-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name1-[(1S)-7-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
PubChem CID156626427
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name1-[(1S)-7-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C[C@@H]1c2c(C#N)cccc2CC12CCNCC2)S(N)=O
InChIInChI=1S/C18H25N3OS/c1-17(2,23(20)22)11-15-16-13(4-3-5-14(16)12-19)10-18(15)6-8-21-9-7-18/h3-5,15,21H,6-11,20H2,1-2H3/t15-,23?/m1/s1
InChIKeyKODFDKBCSVJSQU-NKTHEXPSSA-N
XLogP2.36
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-7-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of 1-[(1S)-7-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (CID 156626427) is 1-[(1S)-7-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for 1-[(1S)-7-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for 1-[(1S)-7-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is CC(C)(C[C@@H]1c2c(C#N)cccc2CC12CCNCC2)S(N)=O.
What is the InChIKey of 1-[(1S)-7-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is KODFDKBCSVJSQU-NKTHEXPSSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-17(2,23(20)22)11-15-16-13(4-3-5-14(16)12-19)10-18(15)6-8-21-9-7-18/h3-5,15,21H,6-11,20H2,1-2H3/t15-,23?/m1/s1.
What are the key properties of 1-[(1S)-7-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
1-[(1S)-7-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 331.49 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-7-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 156626427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).