4-(2-methylprop-1-enyl)thiomorpholine

C8H15NS — CID 24799032

IUPAC4-(2-methylprop-1-enyl)thiomorpholine
SMILESCC(C)=CN1CCSCC1
InChIInChI=1S/C8H15NS/c1-8(2)7-9-3-5-10-6-4-9/h7H,3-6H2,1-2H3
InChIKeyVANNRXJEHKTTFX-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.96
Rot. Bonds1

About 4-(2-methylprop-1-enyl)thiomorpholine

4-(2-methylprop-1-enyl)thiomorpholine (PubChem CID 24799032) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 4-(2-methylprop-1-enyl)thiomorpholine.

Molecular Properties

Compound Name4-(2-methylprop-1-enyl)thiomorpholine
PubChem CID24799032
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name4-(2-methylprop-1-enyl)thiomorpholine
SMILESCC(C)=CN1CCSCC1
InChIInChI=1S/C8H15NS/c1-8(2)7-9-3-5-10-6-4-9/h7H,3-6H2,1-2H3
InChIKeyVANNRXJEHKTTFX-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Methylprop-2-enyl)thiomorpholine
CID 52141724
4-Prop-1-enylthiomorpholine
CID 152718459
4-(3-Methylbut-2-enyl)thiomorpholine
CID 102415045
4-(Propa-1,2-dien-1-yl)thiomorpholine
CID 177813751

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-1-enyl)thiomorpholine?
The IUPAC name of 4-(2-methylprop-1-enyl)thiomorpholine (CID 24799032) is 4-(2-methylprop-1-enyl)thiomorpholine.
What is the SMILES notation for 4-(2-methylprop-1-enyl)thiomorpholine?
The canonical SMILES for 4-(2-methylprop-1-enyl)thiomorpholine is CC(C)=CN1CCSCC1.
What is the InChIKey of 4-(2-methylprop-1-enyl)thiomorpholine?
The InChIKey is VANNRXJEHKTTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-8(2)7-9-3-5-10-6-4-9/h7H,3-6H2,1-2H3.
What are the key properties of 4-(2-methylprop-1-enyl)thiomorpholine?
4-(2-methylprop-1-enyl)thiomorpholine has a molecular weight of 157.28 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-1-enyl)thiomorpholine is sourced from PubChem (CID 24799032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).