4-(3-methylbut-2-enylsulfinyl)morpholine

C9H17NO2S — CID 14088403

IUPAC4-(3-methylbut-2-enylsulfinyl)morpholine
SMILESCC(C)=CCS(=O)N1CCOCC1
InChIInChI=1S/C9H17NO2S/c1-9(2)3-8-13(11)10-4-6-12-7-5-10/h3H,4-8H2,1-2H3
InChIKeyBUQZIGVNSQRYTM-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.95
Rot. Bonds3

About 4-(3-methylbut-2-enylsulfinyl)morpholine

4-(3-methylbut-2-enylsulfinyl)morpholine (PubChem CID 14088403) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 4-(3-methylbut-2-enylsulfinyl)morpholine.

Molecular Properties

Compound Name4-(3-methylbut-2-enylsulfinyl)morpholine
PubChem CID14088403
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name4-(3-methylbut-2-enylsulfinyl)morpholine
SMILESCC(C)=CCS(=O)N1CCOCC1
InChIInChI=1S/C9H17NO2S/c1-9(2)3-8-13(11)10-4-6-12-7-5-10/h3H,4-8H2,1-2H3
InChIKeyBUQZIGVNSQRYTM-UHFFFAOYSA-N
XLogP0.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-2-enylsulfinyl)morpholine?
The IUPAC name of 4-(3-methylbut-2-enylsulfinyl)morpholine (CID 14088403) is 4-(3-methylbut-2-enylsulfinyl)morpholine.
What is the SMILES notation for 4-(3-methylbut-2-enylsulfinyl)morpholine?
The canonical SMILES for 4-(3-methylbut-2-enylsulfinyl)morpholine is CC(C)=CCS(=O)N1CCOCC1.
What is the InChIKey of 4-(3-methylbut-2-enylsulfinyl)morpholine?
The InChIKey is BUQZIGVNSQRYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-9(2)3-8-13(11)10-4-6-12-7-5-10/h3H,4-8H2,1-2H3.
What are the key properties of 4-(3-methylbut-2-enylsulfinyl)morpholine?
4-(3-methylbut-2-enylsulfinyl)morpholine has a molecular weight of 203.31 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-2-enylsulfinyl)morpholine is sourced from PubChem (CID 14088403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).