8-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C25H31N7OS — CID 51360825

IUPAC8-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C(c1cccs1)c1nnnn1C1CCCCC1)CC2
InChIInChI=1S/C25H31N7OS/c33-24-25(31(18-26-24)19-8-3-1-4-9-19)13-15-30(16-14-25)22(21-12-7-17-34-21)23-27-28-29-32(23)20-10-5-2-6-11-20/h1,3-4,7-9,12,17,20,22H,2,5-6,10-11,13-16,18H2,(H,26,33)
InChIKeySFCVSYQKNQZGGF-UHFFFAOYSA-N
MW477.64 g/mol
LogP3.76
Rot. Bonds5

About 8-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 51360825) has the molecular formula C25H31N7OS and a molecular weight of 477.64 g/mol. Its IUPAC name is 8-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID51360825
Molecular FormulaC25H31N7OS
Molecular Weight477.64 g/mol
Exact Mass477.23
IUPAC Name8-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C(c1cccs1)c1nnnn1C1CCCCC1)CC2
InChIInChI=1S/C25H31N7OS/c33-24-25(31(18-26-24)19-8-3-1-4-9-19)13-15-30(16-14-25)22(21-12-7-17-34-21)23-27-28-29-32(23)20-10-5-2-6-11-20/h1,3-4,7-9,12,17,20,22H,2,5-6,10-11,13-16,18H2,(H,26,33)
InChIKeySFCVSYQKNQZGGF-UHFFFAOYSA-N
XLogP3.76
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.64
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[1-[(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360349
8-(1-(1-cyclopentyl-1H-tetrazol-5-yl)-3-phenylpropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 51360083
3-[1-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360361
3-[1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360372
3-[1-[(1-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360384
8-[[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 51360792
8-[1-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-3-methylsulfanylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 51360794
8-[1-(1-Benzyltetrazol-5-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 51360812
8-[(1-Benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 51360813
8-[1-(1-Benzyltetrazol-5-yl)-3-methylsulfanylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 51360816
8-[1-(1-Cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 51360828
8-[(1-Cyclopentyltetrazol-5-yl)-phenylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 51360839

Frequently Asked Questions

What is the IUPAC name of 8-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 51360825) is 8-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(C(c1cccs1)c1nnnn1C1CCCCC1)CC2.
What is the InChIKey of 8-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is SFCVSYQKNQZGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7OS/c33-24-25(31(18-26-24)19-8-3-1-4-9-19)13-15-30(16-14-25)22(21-12-7-17-34-21)23-27-28-29-32(23)20-10-5-2-6-11-20/h1,3-4,7-9,12,17,20,22H,2,5-6,10-11,13-16,18H2,(H,26,33).
What are the key properties of 8-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 477.64 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 51360825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).