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

C24H29N7OS — CID 51360835

IUPAC8-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C(c1cccs1)c1nnnn1C1CCCC1)CC2
InChIInChI=1S/C24H29N7OS/c32-23-24(30(17-25-23)18-7-2-1-3-8-18)12-14-29(15-13-24)21(20-11-6-16-33-20)22-26-27-28-31(22)19-9-4-5-10-19/h1-3,6-8,11,16,19,21H,4-5,9-10,12-15,17H2,(H,25,32)
InChIKeyNRGCQKIHOYSSNA-UHFFFAOYSA-N
MW463.61 g/mol
LogP3.37
Rot. Bonds5

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

8-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 51360835) has the molecular formula C24H29N7OS and a molecular weight of 463.61 g/mol. Its IUPAC name is 8-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID51360835
Molecular FormulaC24H29N7OS
Molecular Weight463.61 g/mol
Exact Mass463.22
IUPAC Name8-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C(c1cccs1)c1nnnn1C1CCCC1)CC2
InChIInChI=1S/C24H29N7OS/c32-23-24(30(17-25-23)18-7-2-1-3-8-18)12-14-29(15-13-24)21(20-11-6-16-33-20)22-26-27-28-31(22)19-9-4-5-10-19/h1-3,6-8,11,16,19,21H,4-5,9-10,12-15,17H2,(H,25,32)
InChIKeyNRGCQKIHOYSSNA-UHFFFAOYSA-N
XLogP3.37
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.61
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 51360835) is 8-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(C(c1cccs1)c1nnnn1C1CCCC1)CC2.
What is the InChIKey of 8-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is NRGCQKIHOYSSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7OS/c32-23-24(30(17-25-23)18-7-2-1-3-8-18)12-14-29(15-13-24)21(20-11-6-16-33-20)22-26-27-28-31(22)19-9-4-5-10-19/h1-3,6-8,11,16,19,21H,4-5,9-10,12-15,17H2,(H,25,32).
What are the key properties of 8-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 463.61 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 51360835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).