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

C10H19NO2S3 — CID 103073492

IUPAC2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN1CCSCC1S(=O)(=O)CC
InChIInChI=1S/C10H19NO2S3/c1-3-16(12,13)10-8-15-5-4-11(10)6-9(2)7-14/h10,14H,2-8H2,1H3
InChIKeyPJFXGWRBQPEYFY-UHFFFAOYSA-N
MW281.47 g/mol
LogP1.28
Rot. Bonds5

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

2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol (PubChem CID 103073492) has the molecular formula C10H19NO2S3 and a molecular weight of 281.47 g/mol. Its IUPAC name is 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol.

Molecular Properties

Compound Name2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
PubChem CID103073492
Molecular FormulaC10H19NO2S3
Molecular Weight281.47 g/mol
Exact Mass281.06
IUPAC Name2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN1CCSCC1S(=O)(=O)CC
InChIInChI=1S/C10H19NO2S3/c1-3-16(12,13)10-8-15-5-4-11(10)6-9(2)7-14/h10,14H,2-8H2,1H3
InChIKeyPJFXGWRBQPEYFY-UHFFFAOYSA-N
XLogP1.28
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol?
The IUPAC name of 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol (CID 103073492) is 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol.
What is the SMILES notation for 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol?
The canonical SMILES for 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol is C=C(CS)CN1CCSCC1S(=O)(=O)CC.
What is the InChIKey of 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol?
The InChIKey is PJFXGWRBQPEYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S3/c1-3-16(12,13)10-8-15-5-4-11(10)6-9(2)7-14/h10,14H,2-8H2,1H3.
What are the key properties of 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol?
2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol has a molecular weight of 281.47 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol is sourced from PubChem (CID 103073492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).