2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-phenylmorpholin-4-yl)ethanone

C18H23N5O2S — CID 134003190

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-phenylmorpholin-4-yl)ethanone
SMILESO=C(CSc1nnnn1C1CCCC1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H23N5O2S/c24-17(13-26-18-19-20-21-23(18)15-8-4-5-9-15)22-10-11-25-16(12-22)14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2
InChIKeyUFDQBYOYBYMPFA-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.48
Rot. Bonds5

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-phenylmorpholin-4-yl)ethanone

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-phenylmorpholin-4-yl)ethanone (PubChem CID 134003190) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-phenylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-phenylmorpholin-4-yl)ethanone
PubChem CID134003190
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-phenylmorpholin-4-yl)ethanone
SMILESO=C(CSc1nnnn1C1CCCC1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H23N5O2S/c24-17(13-26-18-19-20-21-23(18)15-8-4-5-9-15)22-10-11-25-16(12-22)14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2
InChIKeyUFDQBYOYBYMPFA-UHFFFAOYSA-N
XLogP2.48
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 649176
1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]piperidin-4-one
CID 43426130
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 9204575
2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-phenylmorpholin-4-yl)ethanone
CID 134040128
2-(cyclopentylamino)-1-(2-phenylmorpholin-4-yl)ethanone
CID 60963934
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone
CID 78841306
(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone
CID 9208040
1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone
CID 51641442
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 41461433
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 9204628
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 27094625

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-phenylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-phenylmorpholin-4-yl)ethanone (CID 134003190) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-phenylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-phenylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-phenylmorpholin-4-yl)ethanone is O=C(CSc1nnnn1C1CCCC1)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-phenylmorpholin-4-yl)ethanone?
The InChIKey is UFDQBYOYBYMPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c24-17(13-26-18-19-20-21-23(18)15-8-4-5-9-15)22-10-11-25-16(12-22)14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2.
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-phenylmorpholin-4-yl)ethanone?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-phenylmorpholin-4-yl)ethanone has a molecular weight of 373.48 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-phenylmorpholin-4-yl)ethanone is sourced from PubChem (CID 134003190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).