1'-propan-2-ylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]

C16H23NO3S — CID 90565854

IUPAC1'-propan-2-ylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESCC(C)S(=O)(=O)N1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C16H23NO3S/c1-13(2)21(18,19)17-11-9-16(10-12-17)8-7-14-5-3-4-6-15(14)20-16/h3-6,13H,7-12H2,1-2H3
InChIKeyUQRWENAMBINJGR-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.58
Rot. Bonds2

About 1'-propan-2-ylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]

1'-propan-2-ylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine] (PubChem CID 90565854) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 1'-propan-2-ylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine].

Molecular Properties

Compound Name1'-propan-2-ylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]
PubChem CID90565854
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name1'-propan-2-ylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESCC(C)S(=O)(=O)N1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C16H23NO3S/c1-13(2)21(18,19)17-11-9-16(10-12-17)8-7-14-5-3-4-6-15(14)20-16/h3-6,13H,7-12H2,1-2H3
InChIKeyUQRWENAMBINJGR-UHFFFAOYSA-N
XLogP2.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-propan-2-ylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]?
The IUPAC name of 1'-propan-2-ylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine] (CID 90565854) is 1'-propan-2-ylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine].
What is the SMILES notation for 1'-propan-2-ylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]?
The canonical SMILES for 1'-propan-2-ylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine] is CC(C)S(=O)(=O)N1CCC2(CCc3ccccc3O2)CC1.
What is the InChIKey of 1'-propan-2-ylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]?
The InChIKey is UQRWENAMBINJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-13(2)21(18,19)17-11-9-16(10-12-17)8-7-14-5-3-4-6-15(14)20-16/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 1'-propan-2-ylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]?
1'-propan-2-ylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine] has a molecular weight of 309.43 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propan-2-ylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine] is sourced from PubChem (CID 90565854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).