(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone

C18H23N5O2S — CID 9208040

IUPAC(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone
SMILESO=C([C@H](Sc1nnnn1C1CCCC1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H23N5O2S/c24-17(22-10-12-25-13-11-22)16(14-6-2-1-3-7-14)26-18-19-20-21-23(18)15-8-4-5-9-15/h1-3,6-7,15-16H,4-5,8-13H2/t16-/m1/s1
InChIKeyMISJYUIQKCSLFF-MRXNPFEDSA-N
MW373.48 g/mol
LogP2.48
Rot. Bonds5

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

(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone (PubChem CID 9208040) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is (2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone
PubChem CID9208040
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone
SMILESO=C([C@H](Sc1nnnn1C1CCCC1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H23N5O2S/c24-17(22-10-12-25-13-11-22)16(14-6-2-1-3-7-14)26-18-19-20-21-23(18)15-8-4-5-9-15/h1-3,6-7,15-16H,4-5,8-13H2/t16-/m1/s1
InChIKeyMISJYUIQKCSLFF-MRXNPFEDSA-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

Analyze (2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone with MolForge

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Related Compounds

(2R)-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 95347603
(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one
CID 129370493
(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone
CID 36826912
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,2-diphenylacetamide
CID 51280082
(2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-yl-2-phenylethanone
CID 25362490
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
CID 3228976
(2R)-N-carbamoyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 9207001
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 46645490
(2S)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-2-phenylethanone
CID 40657342
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)-2-phenylacetamide
CID 46645368
(2R)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 27046494
2-(1-tert-butyltetrazol-5-yl)sulfanyl-2-phenyl-1-piperidin-1-ylethanone
CID 46647295

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone?
The IUPAC name of (2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone (CID 9208040) is (2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone.
What is the SMILES notation for (2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone?
The canonical SMILES for (2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone is O=C([C@H](Sc1nnnn1C1CCCC1)c1ccccc1)N1CCOCC1.
What is the InChIKey of (2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone?
The InChIKey is MISJYUIQKCSLFF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N5O2S/c24-17(22-10-12-25-13-11-22)16(14-6-2-1-3-7-14)26-18-19-20-21-23(18)15-8-4-5-9-15/h1-3,6-7,15-16H,4-5,8-13H2/t16-/m1/s1.
What are the key properties of (2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone?
(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone 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 (2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone is sourced from PubChem (CID 9208040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).