4-(5-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylbutan-1-one

C10H17N5O2S — CID 88771710

IUPAC4-(5-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylbutan-1-one
SMILESCC1(SCCCC(=O)N2CCOCC2)N=NN=N1
InChIInChI=1S/C10H17N5O2S/c1-10(11-13-14-12-10)18-8-2-3-9(16)15-4-6-17-7-5-15/h2-8H2,1H3
InChIKeyVZXHSLPXBCGZNP-UHFFFAOYSA-N
MW271.35 g/mol
LogP1.87
Rot. Bonds5

About 4-(5-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylbutan-1-one

4-(5-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylbutan-1-one (PubChem CID 88771710) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is 4-(5-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name4-(5-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylbutan-1-one
PubChem CID88771710
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC Name4-(5-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylbutan-1-one
SMILESCC1(SCCCC(=O)N2CCOCC2)N=NN=N1
InChIInChI=1S/C10H17N5O2S/c1-10(11-13-14-12-10)18-8-2-3-9(16)15-4-6-17-7-5-15/h2-8H2,1H3
InChIKeyVZXHSLPXBCGZNP-UHFFFAOYSA-N
XLogP1.87
TPSA78.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 4-(5-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylbutan-1-one (CID 88771710) is 4-(5-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 4-(5-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 4-(5-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylbutan-1-one is CC1(SCCCC(=O)N2CCOCC2)N=NN=N1.
What is the InChIKey of 4-(5-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylbutan-1-one?
The InChIKey is VZXHSLPXBCGZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-10(11-13-14-12-10)18-8-2-3-9(16)15-4-6-17-7-5-15/h2-8H2,1H3.
What are the key properties of 4-(5-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylbutan-1-one?
4-(5-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylbutan-1-one has a molecular weight of 271.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 88771710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).