2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone

C12H19N5O2S — CID 3228976

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESO=C(CSc1nnnn1C1CCCC1)N1CCOCC1
InChIInChI=1S/C12H19N5O2S/c18-11(16-5-7-19-8-6-16)9-20-12-13-14-15-17(12)10-3-1-2-4-10/h10H,1-9H2
InChIKeyWXCQVJCJXKWIBC-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.74
Rot. Bonds4

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone (PubChem CID 3228976) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
PubChem CID3228976
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESO=C(CSc1nnnn1C1CCCC1)N1CCOCC1
InChIInChI=1S/C12H19N5O2S/c18-11(16-5-7-19-8-6-16)9-20-12-13-14-15-17(12)10-3-1-2-4-10/h10H,1-9H2
InChIKeyWXCQVJCJXKWIBC-UHFFFAOYSA-N
XLogP0.74
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]piperidin-4-one
CID 43426130
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-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 649176
2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylacetic acid
CID 43610496
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 9204575
(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one
CID 129370493
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone
CID 63902701
2-(1-ethyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
CID 649256
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 41461433
(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone
CID 9208040
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-morpholin-4-ylethanone?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone (CID 3228976) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone is O=C(CSc1nnnn1C1CCCC1)N1CCOCC1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is WXCQVJCJXKWIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c18-11(16-5-7-19-8-6-16)9-20-12-13-14-15-17(12)10-3-1-2-4-10/h10H,1-9H2.
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 297.38 g/mol, XLogP of 0.74, 4 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-morpholin-4-ylethanone is sourced from PubChem (CID 3228976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).