2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

C17H22N6O3S — CID 649176

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CSc1nnnn1C1CCCC1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H22N6O3S/c24-15(12-27-17-18-19-20-23(17)13-4-1-2-5-13)21-7-9-22(10-8-21)16(25)14-6-3-11-26-14/h3,6,11,13H,1-2,4-5,7-10,12H2
InChIKeyAUWQYGCFJQEDDS-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.46
Rot. Bonds5

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 649176) has the molecular formula C17H22N6O3S and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID649176
Molecular FormulaC17H22N6O3S
Molecular Weight390.47 g/mol
Exact Mass390.15
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CSc1nnnn1C1CCCC1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H22N6O3S/c24-15(12-27-17-18-19-20-23(17)13-4-1-2-5-13)21-7-9-22(10-8-21)16(25)14-6-3-11-26-14/h3,6,11,13H,1-2,4-5,7-10,12H2
InChIKeyAUWQYGCFJQEDDS-UHFFFAOYSA-N
XLogP1.46
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
CID 3228976
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 27094625
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 9204575
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 7664699
1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]piperidin-4-one
CID 43426130
[4-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1442957
[4-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone chloride
CID 53313729
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 41461433
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 2382804
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-phenylmorpholin-4-yl)ethanone
CID 134003190
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]ethanone
CID 31502049
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 2357611

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (CID 649176) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is O=C(CSc1nnnn1C1CCCC1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is AUWQYGCFJQEDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3S/c24-15(12-27-17-18-19-20-23(17)13-4-1-2-5-13)21-7-9-22(10-8-21)16(25)14-6-3-11-26-14/h3,6,11,13H,1-2,4-5,7-10,12H2.
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 390.47 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 649176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).