(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one

C15H25N5O2S — CID 129370493

IUPAC(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)[C@H](Sc1nnnn1C1CCCC1)C(=O)N1CCOCC1
InChIInChI=1S/C15H25N5O2S/c1-11(2)13(14(21)19-7-9-22-10-8-19)23-15-16-17-18-20(15)12-5-3-4-6-12/h11-13H,3-10H2,1-2H3/t13-/m0/s1
InChIKeySGMDECGVWJVSGR-ZDUSSCGKSA-N
MW339.47 g/mol
LogP1.76
Rot. Bonds5

About (2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one

(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one (PubChem CID 129370493) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is (2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one
PubChem CID129370493
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC Name(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)[C@H](Sc1nnnn1C1CCCC1)C(=O)N1CCOCC1
InChIInChI=1S/C15H25N5O2S/c1-11(2)13(14(21)19-7-9-22-10-8-19)23-15-16-17-18-20(15)12-5-3-4-6-12/h11-13H,3-10H2,1-2H3/t13-/m0/s1
InChIKeySGMDECGVWJVSGR-ZDUSSCGKSA-N
XLogP1.76
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one with MolForge

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Related Compounds

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(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide
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(2S)-2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
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(2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
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ethyl 2-(1-cyclopentyltetrazol-5-yl)sulfanylbutanoate
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one?
The IUPAC name of (2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one (CID 129370493) is (2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for (2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for (2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one is CC(C)[C@H](Sc1nnnn1C1CCCC1)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one?
The InChIKey is SGMDECGVWJVSGR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N5O2S/c1-11(2)13(14(21)19-7-9-22-10-8-19)23-15-16-17-18-20(15)12-5-3-4-6-12/h11-13H,3-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one?
(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one has a molecular weight of 339.47 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 129370493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).