1'-propan-2-yl-6-[5-(propan-2-ylsulfonylmethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]

C25H34N2O3S — CID 172816308

IUPAC1'-propan-2-yl-6-[5-(propan-2-ylsulfonylmethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESCC(C)N1CCC2(CCc3cc(-c4ccc(CS(=O)(=O)C(C)C)cn4)ccc3O2)CC1
InChIInChI=1S/C25H34N2O3S/c1-18(2)27-13-11-25(12-14-27)10-9-22-15-21(6-8-24(22)30-25)23-7-5-20(16-26-23)17-31(28,29)19(3)4/h5-8,15-16,18-19H,9-14,17H2,1-4H3
InChIKeySVYAPBNYUPWGBT-UHFFFAOYSA-N
MW442.63 g/mol
LogP4.64
Rot. Bonds5

About 1'-propan-2-yl-6-[5-(propan-2-ylsulfonylmethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]

1'-propan-2-yl-6-[5-(propan-2-ylsulfonylmethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine] (PubChem CID 172816308) has the molecular formula C25H34N2O3S and a molecular weight of 442.63 g/mol. Its IUPAC name is 1'-propan-2-yl-6-[5-(propan-2-ylsulfonylmethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine].

Molecular Properties

Compound Name1'-propan-2-yl-6-[5-(propan-2-ylsulfonylmethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
PubChem CID172816308
Molecular FormulaC25H34N2O3S
Molecular Weight442.63 g/mol
Exact Mass442.23
IUPAC Name1'-propan-2-yl-6-[5-(propan-2-ylsulfonylmethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESCC(C)N1CCC2(CCc3cc(-c4ccc(CS(=O)(=O)C(C)C)cn4)ccc3O2)CC1
InChIInChI=1S/C25H34N2O3S/c1-18(2)27-13-11-25(12-14-27)10-9-22-15-21(6-8-24(22)30-25)23-7-5-20(16-26-23)17-31(28,29)19(3)4/h5-8,15-16,18-19H,9-14,17H2,1-4H3
InChIKeySVYAPBNYUPWGBT-UHFFFAOYSA-N
XLogP4.64
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.63
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-propan-2-yl-6-[5-(propan-2-ylsulfonylmethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine] with MolForge

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Related Compounds

6-[5-(benzylsulfonylmethyl)-2-pyridinyl]-1'-tert-butylspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 172786610
(2R)-3-[[6-(1'-tert-butylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-3-pyridinyl]methylsulfonyl]-2-methylpropan-1-ol
CID 152734153
1'-tert-butyl-6-[5-(3,3,3-trifluoropropylsulfonylmethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 172808352
2,2-dimethylpropyl 6-[5-[(3-hydroxy-2,2-dimethylpropyl)sulfonylmethyl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 71081403
3-[[6-[1'-(1,1,1-trifluoro-2-methylpropan-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]-3-pyridinyl]methylsulfonyl]propan-1-ol
CID 172861180
(6-spiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl-3-pyridinyl)methanol
CID 149160605
6-[4-(methylsulfonylmethyl)phenyl]-1'-(pyridin-4-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 172843528
6-[4-(benzylsulfonylmethyl)phenyl]-1'-tert-butylspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 172738250
1'-(2,2-dimethylpropyl)-6-[4-(methylsulfonylmethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 172838421
1'-tert-butyl-6-[2-fluoro-4-(methylsulfonylmethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 172706735
1'-benzyl-6-[4-(methylsulfonylmethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 172686393
(1-methylcyclopropyl)methyl 6-[4-(methylsulfonylmethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 71617810

Frequently Asked Questions

What is the IUPAC name of 1'-propan-2-yl-6-[5-(propan-2-ylsulfonylmethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]?
The IUPAC name of 1'-propan-2-yl-6-[5-(propan-2-ylsulfonylmethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine] (CID 172816308) is 1'-propan-2-yl-6-[5-(propan-2-ylsulfonylmethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine].
What is the SMILES notation for 1'-propan-2-yl-6-[5-(propan-2-ylsulfonylmethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]?
The canonical SMILES for 1'-propan-2-yl-6-[5-(propan-2-ylsulfonylmethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine] is CC(C)N1CCC2(CCc3cc(-c4ccc(CS(=O)(=O)C(C)C)cn4)ccc3O2)CC1.
What is the InChIKey of 1'-propan-2-yl-6-[5-(propan-2-ylsulfonylmethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]?
The InChIKey is SVYAPBNYUPWGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3S/c1-18(2)27-13-11-25(12-14-27)10-9-22-15-21(6-8-24(22)30-25)23-7-5-20(16-26-23)17-31(28,29)19(3)4/h5-8,15-16,18-19H,9-14,17H2,1-4H3.
What are the key properties of 1'-propan-2-yl-6-[5-(propan-2-ylsulfonylmethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]?
1'-propan-2-yl-6-[5-(propan-2-ylsulfonylmethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine] has a molecular weight of 442.63 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propan-2-yl-6-[5-(propan-2-ylsulfonylmethyl)-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine] is sourced from PubChem (CID 172816308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).