2-(thiomorpholin-4-ylmethyl)prop-2-ene-1-thiol

C8H15NS2 — CID 103073260

IUPAC2-(thiomorpholin-4-ylmethyl)prop-2-ene-1-thiol
SMILESC=C(CS)CN1CCSCC1
InChIInChI=1S/C8H15NS2/c1-8(7-10)6-9-2-4-11-5-3-9/h10H,1-7H2
InChIKeyRSULVKHKNYXMTG-UHFFFAOYSA-N
MW189.35 g/mol
LogP1.52
Rot. Bonds3

About 2-(thiomorpholin-4-ylmethyl)prop-2-ene-1-thiol

2-(thiomorpholin-4-ylmethyl)prop-2-ene-1-thiol (PubChem CID 103073260) has the molecular formula C8H15NS2 and a molecular weight of 189.35 g/mol. Its IUPAC name is 2-(thiomorpholin-4-ylmethyl)prop-2-ene-1-thiol.

Molecular Properties

Compound Name2-(thiomorpholin-4-ylmethyl)prop-2-ene-1-thiol
PubChem CID103073260
Molecular FormulaC8H15NS2
Molecular Weight189.35 g/mol
Exact Mass189.06
IUPAC Name2-(thiomorpholin-4-ylmethyl)prop-2-ene-1-thiol
SMILESC=C(CS)CN1CCSCC1
InChIInChI=1S/C8H15NS2/c1-8(7-10)6-9-2-4-11-5-3-9/h10H,1-7H2
InChIKeyRSULVKHKNYXMTG-UHFFFAOYSA-N
XLogP1.52
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.35
LogP ≤ 51.52
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

2,2-Dimethyl-4-(3-methylbut-2-en-1-yl)thiomorpholine
CID 130709446
4-(2-Methylprop-2-enyl)thiomorpholine
CID 52141724
4-Thiomorpholin-4-ylbut-2-ene-1-thiol
CID 80024967
2-[(3-Methylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
CID 103073188
2-[(2,6-Dimethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
CID 103073191
2-[(1-Oxo-1,4-thiazinan-4-yl)methyl]prop-2-ene-1-thiol
CID 103073381
2-[[Methyl(2-methylsulfanylethyl)amino]methyl]prop-2-ene-1-thiol
CID 103073535
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
2-[(2-Ethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
CID 103073555
2-[(2,2-Dimethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
CID 103073556
(E)-4-(2,2-dimethylthiomorpholin-4-yl)but-2-ene-1-thiol
CID 116407805

Frequently Asked Questions

What is the IUPAC name of 2-(thiomorpholin-4-ylmethyl)prop-2-ene-1-thiol?
The IUPAC name of 2-(thiomorpholin-4-ylmethyl)prop-2-ene-1-thiol (CID 103073260) is 2-(thiomorpholin-4-ylmethyl)prop-2-ene-1-thiol.
What is the SMILES notation for 2-(thiomorpholin-4-ylmethyl)prop-2-ene-1-thiol?
The canonical SMILES for 2-(thiomorpholin-4-ylmethyl)prop-2-ene-1-thiol is C=C(CS)CN1CCSCC1.
What is the InChIKey of 2-(thiomorpholin-4-ylmethyl)prop-2-ene-1-thiol?
The InChIKey is RSULVKHKNYXMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS2/c1-8(7-10)6-9-2-4-11-5-3-9/h10H,1-7H2.
What are the key properties of 2-(thiomorpholin-4-ylmethyl)prop-2-ene-1-thiol?
2-(thiomorpholin-4-ylmethyl)prop-2-ene-1-thiol has a molecular weight of 189.35 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiomorpholin-4-ylmethyl)prop-2-ene-1-thiol is sourced from PubChem (CID 103073260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).