N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridin-2-amine

C25H35N3OS — CID 169140013

IUPACN-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridin-2-amine
SMILESCCc1cc2c(s1)CCOC21CCN(Cc2ccc(NC3CCCCC3)nc2)CC1
InChIInChI=1S/C25H35N3OS/c1-2-21-16-22-23(30-21)10-15-29-25(22)11-13-28(14-12-25)18-19-8-9-24(26-17-19)27-20-6-4-3-5-7-20/h8-9,16-17,20H,2-7,10-15,18H2,1H3,(H,26,27)
InChIKeyPOCBZZOGZLFCKX-UHFFFAOYSA-N
MW425.64 g/mol
LogP5.51
Rot. Bonds5

About N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridin-2-amine

N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridin-2-amine (PubChem CID 169140013) has the molecular formula C25H35N3OS and a molecular weight of 425.64 g/mol. Its IUPAC name is N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridin-2-amine
PubChem CID169140013
Molecular FormulaC25H35N3OS
Molecular Weight425.64 g/mol
Exact Mass425.25
IUPAC NameN-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridin-2-amine
SMILESCCc1cc2c(s1)CCOC21CCN(Cc2ccc(NC3CCCCC3)nc2)CC1
InChIInChI=1S/C25H35N3OS/c1-2-21-16-22-23(30-21)10-15-29-25(22)11-13-28(14-12-25)18-19-8-9-24(26-17-19)27-20-6-4-3-5-7-20/h8-9,16-17,20H,2-7,10-15,18H2,1H3,(H,26,27)
InChIKeyPOCBZZOGZLFCKX-UHFFFAOYSA-N
XLogP5.51
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.64
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridine-2-carboxamide;ethane
CID 169138695
N-[5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]-2-pyridinyl]cyclopropanesulfonamide
CID 169139569
1'-[(6-bromo-3-pyridinyl)methyl]-2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169139849
5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridine-2-carboxylic acid
CID 169139909
2-ethyl-1'-(1,3-thiazol-5-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169139169
3-[[5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyrimidin-2-yl]amino]-4-(methylamino)butanal
CID 169139531
(3S)-3-[[5-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]-2-pyridinyl]amino]-2-methylbutan-2-ol
CID 169140484
1'-[(1-cyclopropyltriazol-4-yl)methyl]-2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169138788
2-ethyl-1'-[(1-methyltriazol-4-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169140671
2-ethyl-1'-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169138623
N-[3-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]cyclobutyl]-1,3-dihydroxycyclobutane-1-carboxamide
CID 169140118
2-ethyl-1'-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169140605

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridin-2-amine?
The IUPAC name of N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridin-2-amine (CID 169140013) is N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridin-2-amine is CCc1cc2c(s1)CCOC21CCN(Cc2ccc(NC3CCCCC3)nc2)CC1.
What is the InChIKey of N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridin-2-amine?
The InChIKey is POCBZZOGZLFCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3OS/c1-2-21-16-22-23(30-21)10-15-29-25(22)11-13-28(14-12-25)18-19-8-9-24(26-17-19)27-20-6-4-3-5-7-20/h8-9,16-17,20H,2-7,10-15,18H2,1H3,(H,26,27).
What are the key properties of N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridin-2-amine?
N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridin-2-amine has a molecular weight of 425.64 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 169140013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).