1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile

C19H26N2OS — CID 25110833

IUPAC1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile
SMILESN#CC1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1
InChIInChI=1S/C19H26N2OS/c20-13-16-12-18-17(6-11-23-18)19(22-16)7-9-21(10-8-19)14-15-4-2-1-3-5-15/h6,11,15-16H,1-5,7-10,12,14H2
InChIKeyKHLFGIKNYOGXSQ-UHFFFAOYSA-N
MW330.50 g/mol
LogP4.08
Rot. Bonds2

About 1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile

1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile (PubChem CID 25110833) has the molecular formula C19H26N2OS and a molecular weight of 330.50 g/mol. Its IUPAC name is 1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile.

Molecular Properties

Compound Name1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile
PubChem CID25110833
Molecular FormulaC19H26N2OS
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC Name1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile
SMILESN#CC1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1
InChIInChI=1S/C19H26N2OS/c20-13-16-12-18-17(6-11-23-18)19(22-16)7-9-21(10-8-19)14-15-4-2-1-3-5-15/h6,11,15-16H,1-5,7-10,12,14H2
InChIKeyKHLFGIKNYOGXSQ-UHFFFAOYSA-N
XLogP4.08
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Cyclohexylmethyl)-6-methoxy-6,7-dihydrospiro[piperidine-4,4-thieno[3.2c]pyran]
CID 25129867
1'-Benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 25167087
1-(Cyclohexylmethyl)-6'',7''-dihydrospiro[piperidine-4,4''-thieno[3,2-c]pyran]
CID 25167287
(6R)-1'-(cyclohexylmethyl)-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 49798743
1'-Benzylspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]
CID 56651522
1'-Benzylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 70676937
1-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)-N,N-dimethylmethanamine
CID 25164276
1'-Benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile
CID 25167085
2-(1'-Benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetonitrile
CID 25167086
1-(Cyclohexylmethyl)spiro[piperidine-4,4'-thieno[3,2-c]pyran]
CID 25167089
2-(1'-Benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanol
CID 25167288
(1'-Benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)methanamine
CID 25167291

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile?
The IUPAC name of 1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile (CID 25110833) is 1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile.
What is the SMILES notation for 1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile?
The canonical SMILES for 1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile is N#CC1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1.
What is the InChIKey of 1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile?
The InChIKey is KHLFGIKNYOGXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2OS/c20-13-16-12-18-17(6-11-23-18)19(22-16)7-9-21(10-8-19)14-15-4-2-1-3-5-15/h6,11,15-16H,1-5,7-10,12,14H2.
What are the key properties of 1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile?
1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile has a molecular weight of 330.50 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile is sourced from PubChem (CID 25110833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).