2-methyl-N-[(1R)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide

C17H26N2OS — CID 156636998

IUPAC2-methyl-N-[(1R)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@H]1c2ccccc2CC12CCNCC2
InChIInChI=1S/C17H26N2OS/c1-16(2,3)21(20)19-15-14-7-5-4-6-13(14)12-17(15)8-10-18-11-9-17/h4-7,15,18-19H,8-12H2,1-3H3/t15-,21?/m0/s1
InChIKeyWJMSINQARSIDBW-ZDGMYTEDSA-N
MW306.48 g/mol
LogP2.71
Rot. Bonds2

About 2-methyl-N-[(1R)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide

2-methyl-N-[(1R)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide (PubChem CID 156636998) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide
PubChem CID156636998
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name2-methyl-N-[(1R)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@H]1c2ccccc2CC12CCNCC2
InChIInChI=1S/C17H26N2OS/c1-16(2,3)21(20)19-15-14-7-5-4-6-13(14)12-17(15)8-10-18-11-9-17/h4-7,15,18-19H,8-12H2,1-3H3/t15-,21?/m0/s1
InChIKeyWJMSINQARSIDBW-ZDGMYTEDSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(1R)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide (CID 156636998) is 2-methyl-N-[(1R)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(1R)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(1R)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide is CC(C)(C)S(=O)N[C@H]1c2ccccc2CC12CCNCC2.
What is the InChIKey of 2-methyl-N-[(1R)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide?
The InChIKey is WJMSINQARSIDBW-ZDGMYTEDSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-16(2,3)21(20)19-15-14-7-5-4-6-13(14)12-17(15)8-10-18-11-9-17/h4-7,15,18-19H,8-12H2,1-3H3/t15-,21?/m0/s1.
What are the key properties of 2-methyl-N-[(1R)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide?
2-methyl-N-[(1R)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide has a molecular weight of 306.48 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide is sourced from PubChem (CID 156636998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).