4-prop-1-ynylsulfinylmorpholine

C7H11NO2S — CID 15025964

IUPAC4-prop-1-ynylsulfinylmorpholine
SMILESCC#CS(=O)N1CCOCC1
InChIInChI=1S/C7H11NO2S/c1-2-7-11(9)8-3-5-10-6-4-8/h3-6H2,1H3
InChIKeyYIAVNJWMPJPCCZ-UHFFFAOYSA-N
MW173.24 g/mol
LogP-0.04
Rot. Bonds1

About 4-prop-1-ynylsulfinylmorpholine

4-prop-1-ynylsulfinylmorpholine (PubChem CID 15025964) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 4-prop-1-ynylsulfinylmorpholine.

Molecular Properties

Compound Name4-prop-1-ynylsulfinylmorpholine
PubChem CID15025964
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name4-prop-1-ynylsulfinylmorpholine
SMILESCC#CS(=O)N1CCOCC1
InChIInChI=1S/C7H11NO2S/c1-2-7-11(9)8-3-5-10-6-4-8/h3-6H2,1H3
InChIKeyYIAVNJWMPJPCCZ-UHFFFAOYSA-N
XLogP-0.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-1-ynylsulfinylmorpholine?
The IUPAC name of 4-prop-1-ynylsulfinylmorpholine (CID 15025964) is 4-prop-1-ynylsulfinylmorpholine.
What is the SMILES notation for 4-prop-1-ynylsulfinylmorpholine?
The canonical SMILES for 4-prop-1-ynylsulfinylmorpholine is CC#CS(=O)N1CCOCC1.
What is the InChIKey of 4-prop-1-ynylsulfinylmorpholine?
The InChIKey is YIAVNJWMPJPCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-2-7-11(9)8-3-5-10-6-4-8/h3-6H2,1H3.
What are the key properties of 4-prop-1-ynylsulfinylmorpholine?
4-prop-1-ynylsulfinylmorpholine has a molecular weight of 173.24 g/mol, XLogP of -0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-ynylsulfinylmorpholine is sourced from PubChem (CID 15025964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).