2-[(3-methylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol

C9H17NS2 — CID 103073188

IUPAC2-[(3-methylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN1CCSCC1C
InChIInChI=1S/C9H17NS2/c1-8(6-11)5-10-3-4-12-7-9(10)2/h9,11H,1,3-7H2,2H3
InChIKeyOLQZUBYUMNRBDA-UHFFFAOYSA-N
MW203.38 g/mol
LogP1.91
Rot. Bonds3

About 2-[(3-methylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol

2-[(3-methylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol (PubChem CID 103073188) has the molecular formula C9H17NS2 and a molecular weight of 203.38 g/mol. Its IUPAC name is 2-[(3-methylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol.

Molecular Properties

Compound Name2-[(3-methylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
PubChem CID103073188
Molecular FormulaC9H17NS2
Molecular Weight203.38 g/mol
Exact Mass203.08
IUPAC Name2-[(3-methylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN1CCSCC1C
InChIInChI=1S/C9H17NS2/c1-8(6-11)5-10-3-4-12-7-9(10)2/h9,11H,1,3-7H2,2H3
InChIKeyOLQZUBYUMNRBDA-UHFFFAOYSA-N
XLogP1.91
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-(2-Methylprop-2-enyl)thiomorpholine
CID 52141724
3-Ethyl-2-methyl-4-prop-2-enylthiomorpholine
CID 12517921
4-(3-Methylthiomorpholin-4-yl)but-2-ene-1-thiol
CID 80017322
2-[(3-Methylthiomorpholin-4-yl)methyl]prop-2-en-1-amine
CID 103070727
2-[(2,3-Dimethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine
CID 103071324
2-[(2,6-Dimethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
CID 103073191
2-(Thiomorpholin-4-ylmethyl)prop-2-ene-1-thiol
CID 103073260
2-[[Methyl(thiolan-3-yl)amino]methyl]prop-2-ene-1-thiol
CID 103073281
2-[[Methyl(1-methylsulfanylbutan-2-yl)amino]methyl]prop-2-ene-1-thiol
CID 103073536
2-[[Methyl(1-methylsulfanylpropan-2-yl)amino]methyl]prop-2-ene-1-thiol
CID 103073537
2-[(2-Methylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
CID 103073551
2-[(2,3-Dimethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
CID 103073554

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol?
The IUPAC name of 2-[(3-methylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol (CID 103073188) is 2-[(3-methylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol.
What is the SMILES notation for 2-[(3-methylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol?
The canonical SMILES for 2-[(3-methylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol is C=C(CS)CN1CCSCC1C.
What is the InChIKey of 2-[(3-methylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol?
The InChIKey is OLQZUBYUMNRBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS2/c1-8(6-11)5-10-3-4-12-7-9(10)2/h9,11H,1,3-7H2,2H3.
What are the key properties of 2-[(3-methylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol?
2-[(3-methylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol has a molecular weight of 203.38 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol is sourced from PubChem (CID 103073188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).