2-methyl-4-prop-2-enylthiomorpholine

C8H15NS — CID 102362402

IUPAC2-methyl-4-prop-2-enylthiomorpholine
SMILESC=CCN1CCSC(C)C1
InChIInChI=1S/C8H15NS/c1-3-4-9-5-6-10-8(2)7-9/h3,8H,1,4-7H2,2H3
InChIKeyCSAMDDVJMMCWLS-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.61
Rot. Bonds2

About 2-methyl-4-prop-2-enylthiomorpholine

2-methyl-4-prop-2-enylthiomorpholine (PubChem CID 102362402) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2-methyl-4-prop-2-enylthiomorpholine.

Molecular Properties

Compound Name2-methyl-4-prop-2-enylthiomorpholine
PubChem CID102362402
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2-methyl-4-prop-2-enylthiomorpholine
SMILESC=CCN1CCSC(C)C1
InChIInChI=1S/C8H15NS/c1-3-4-9-5-6-10-8(2)7-9/h3,8H,1,4-7H2,2H3
InChIKeyCSAMDDVJMMCWLS-UHFFFAOYSA-N
XLogP1.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-4-(3-methylbut-2-en-1-yl)thiomorpholine
CID 130709446
4-(2-Propen-1-yl)thiomorpholine
CID 12517935
4-(2-Methylprop-2-enyl)thiomorpholine
CID 52141724
N-prop-2-enyl-N-(2-propylsulfanylethyl)prop-2-en-1-amine
CID 54074839
4-Buta-2,3-dienylthiomorpholine
CID 57277223
4-But-3-enylthiomorpholine
CID 85832895
(E)-1-methylsulfanylprop-1-ene;1-prop-2-enylpiperidine
CID 142185314
4-Methylthiomorpholine;prop-1-ene
CID 143140970
4-Prop-1-enylthiomorpholine
CID 152718459
2-Ethenyl-4-methylthiomorpholine
CID 153547696
(2R)-2-ethenyl-4-methylthiomorpholine
CID 168261126
3-methylsulfanyl-N,N-bis(prop-2-enyl)propan-1-amine
CID 169817188

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-prop-2-enylthiomorpholine?
The IUPAC name of 2-methyl-4-prop-2-enylthiomorpholine (CID 102362402) is 2-methyl-4-prop-2-enylthiomorpholine.
What is the SMILES notation for 2-methyl-4-prop-2-enylthiomorpholine?
The canonical SMILES for 2-methyl-4-prop-2-enylthiomorpholine is C=CCN1CCSC(C)C1.
What is the InChIKey of 2-methyl-4-prop-2-enylthiomorpholine?
The InChIKey is CSAMDDVJMMCWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-3-4-9-5-6-10-8(2)7-9/h3,8H,1,4-7H2,2H3.
What are the key properties of 2-methyl-4-prop-2-enylthiomorpholine?
2-methyl-4-prop-2-enylthiomorpholine has a molecular weight of 157.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-prop-2-enylthiomorpholine is sourced from PubChem (CID 102362402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).