4-methylthiomorpholine;prop-1-ene

C8H17NS — CID 143140970

IUPAC4-methylthiomorpholine;prop-1-ene
SMILESC=CC.CN1CCSCC1
InChIInChI=1S/C5H11NS.C3H6/c1-6-2-4-7-5-3-6;1-3-2/h2-5H2,1H3;3H,1H2,2H3
InChIKeySHJWCYFDJTUTBS-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.86
Rot. Bonds

About 4-methylthiomorpholine;prop-1-ene

4-methylthiomorpholine;prop-1-ene (PubChem CID 143140970) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 4-methylthiomorpholine;prop-1-ene.

Molecular Properties

Compound Name4-methylthiomorpholine;prop-1-ene
PubChem CID143140970
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name4-methylthiomorpholine;prop-1-ene
SMILESC=CC.CN1CCSCC1
InChIInChI=1S/C5H11NS.C3H6/c1-6-2-4-7-5-3-6;1-3-2/h2-5H2,1H3;3H,1H2,2H3
InChIKeySHJWCYFDJTUTBS-UHFFFAOYSA-N
XLogP1.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.86
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
2-(Diisopropylamino)ethyl ethenyl sulfide
CID 91746851
N-prop-2-enyl-N-(2-propylsulfanylethyl)prop-2-en-1-amine
CID 54074839
4-Buta-2,3-dienylthiomorpholine
CID 57277223
4-Tert-butyl-2-methylidenethiomorpholine
CID 70670572
4-But-3-enylthiomorpholine
CID 85832895
Ethane;4-methyl-3-methylidenethiomorpholine
CID 91055577
Ethane;ethene;4-methylthiomorpholine
CID 144381705
(E)-N-ethyl-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine
CID 144748130
4-Prop-1-enylthiomorpholine
CID 152718459
2-Ethenyl-4-methylthiomorpholine
CID 153547696

Frequently Asked Questions

What is the IUPAC name of 4-methylthiomorpholine;prop-1-ene?
The IUPAC name of 4-methylthiomorpholine;prop-1-ene (CID 143140970) is 4-methylthiomorpholine;prop-1-ene.
What is the SMILES notation for 4-methylthiomorpholine;prop-1-ene?
The canonical SMILES for 4-methylthiomorpholine;prop-1-ene is C=CC.CN1CCSCC1.
What is the InChIKey of 4-methylthiomorpholine;prop-1-ene?
The InChIKey is SHJWCYFDJTUTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS.C3H6/c1-6-2-4-7-5-3-6;1-3-2/h2-5H2,1H3;3H,1H2,2H3.
What are the key properties of 4-methylthiomorpholine;prop-1-ene?
4-methylthiomorpholine;prop-1-ene has a molecular weight of 159.30 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylthiomorpholine;prop-1-ene is sourced from PubChem (CID 143140970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).