1'-cyclobutyl-6-(thian-4-ylmethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine]

C23H33NO2S — CID 57391842

IUPAC1'-cyclobutyl-6-(thian-4-ylmethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESc1cc2c(cc1OCC1CCSCC1)CCC1(CCN(C3CCC3)CC1)O2
InChIInChI=1S/C23H33NO2S/c1-2-20(3-1)24-12-10-23(11-13-24)9-6-19-16-21(4-5-22(19)26-23)25-17-18-7-14-27-15-8-18/h4-5,16,18,20H,1-3,6-15,17H2
InChIKeyVHABVERYNGLMMN-UHFFFAOYSA-N
MW387.59 g/mol
LogP4.92
Rot. Bonds4

About 1'-cyclobutyl-6-(thian-4-ylmethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine]

1'-cyclobutyl-6-(thian-4-ylmethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine] (PubChem CID 57391842) has the molecular formula C23H33NO2S and a molecular weight of 387.59 g/mol. Its IUPAC name is 1'-cyclobutyl-6-(thian-4-ylmethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine].

Molecular Properties

Compound Name1'-cyclobutyl-6-(thian-4-ylmethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine]
PubChem CID57391842
Molecular FormulaC23H33NO2S
Molecular Weight387.59 g/mol
Exact Mass387.22
IUPAC Name1'-cyclobutyl-6-(thian-4-ylmethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESc1cc2c(cc1OCC1CCSCC1)CCC1(CCN(C3CCC3)CC1)O2
InChIInChI=1S/C23H33NO2S/c1-2-20(3-1)24-12-10-23(11-13-24)9-6-19-16-21(4-5-22(19)26-23)25-17-18-7-14-27-15-8-18/h4-5,16,18,20H,1-3,6-15,17H2
InChIKeyVHABVERYNGLMMN-UHFFFAOYSA-N
XLogP4.92
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.59
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-cyclobutyl-6-(thian-4-ylmethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine]?
The IUPAC name of 1'-cyclobutyl-6-(thian-4-ylmethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine] (CID 57391842) is 1'-cyclobutyl-6-(thian-4-ylmethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine].
What is the SMILES notation for 1'-cyclobutyl-6-(thian-4-ylmethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine]?
The canonical SMILES for 1'-cyclobutyl-6-(thian-4-ylmethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine] is c1cc2c(cc1OCC1CCSCC1)CCC1(CCN(C3CCC3)CC1)O2.
What is the InChIKey of 1'-cyclobutyl-6-(thian-4-ylmethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine]?
The InChIKey is VHABVERYNGLMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2S/c1-2-20(3-1)24-12-10-23(11-13-24)9-6-19-16-21(4-5-22(19)26-23)25-17-18-7-14-27-15-8-18/h4-5,16,18,20H,1-3,6-15,17H2.
What are the key properties of 1'-cyclobutyl-6-(thian-4-ylmethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine]?
1'-cyclobutyl-6-(thian-4-ylmethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine] has a molecular weight of 387.59 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclobutyl-6-(thian-4-ylmethoxy)spiro[3,4-dihydrochromene-2,4'-piperidine] is sourced from PubChem (CID 57391842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).