2-[(1-oxo-1,4-thiazinan-4-yl)methyl]prop-2-ene-1-thiol

C8H15NOS2 — CID 103073381

IUPAC2-[(1-oxo-1,4-thiazinan-4-yl)methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN1CCS(=O)CC1
InChIInChI=1S/C8H15NOS2/c1-8(7-11)6-9-2-4-12(10)5-3-9/h11H,1-7H2
InChIKeyBJSXCNBVZMZMGX-UHFFFAOYSA-N
MW205.35 g/mol
LogP0.54
Rot. Bonds3

About 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]prop-2-ene-1-thiol

2-[(1-oxo-1,4-thiazinan-4-yl)methyl]prop-2-ene-1-thiol (PubChem CID 103073381) has the molecular formula C8H15NOS2 and a molecular weight of 205.35 g/mol. Its IUPAC name is 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]prop-2-ene-1-thiol.

Molecular Properties

Compound Name2-[(1-oxo-1,4-thiazinan-4-yl)methyl]prop-2-ene-1-thiol
PubChem CID103073381
Molecular FormulaC8H15NOS2
Molecular Weight205.35 g/mol
Exact Mass205.06
IUPAC Name2-[(1-oxo-1,4-thiazinan-4-yl)methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN1CCS(=O)CC1
InChIInChI=1S/C8H15NOS2/c1-8(7-11)6-9-2-4-12(10)5-3-9/h11H,1-7H2
InChIKeyBJSXCNBVZMZMGX-UHFFFAOYSA-N
XLogP0.54
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 50.54
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-(1-Oxo-1,4-thiazinan-4-yl)but-2-ene-1-thiol
CID 80020232
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-[(1,1-Dioxo-1,4-thiazinan-4-yl)methyl]prop-2-ene-1-thiol
CID 103073297
2-[(3-Methylsulfonylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
CID 103073491
2-[(3-Ethylsulfonylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
CID 103073492
2-[(2-Methylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
CID 103073551
2-[(2,2-Dimethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
CID 103073556
3-Methyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide
CID 130657459
2,6-Dimethyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide
CID 130667717
2,2-Dimethyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide
CID 130683745
4-(2-Methylidenebutyl)-1,4-thiazinane 1-oxide
CID 130684307

Frequently Asked Questions

What is the IUPAC name of 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]prop-2-ene-1-thiol?
The IUPAC name of 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]prop-2-ene-1-thiol (CID 103073381) is 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]prop-2-ene-1-thiol.
What is the SMILES notation for 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]prop-2-ene-1-thiol?
The canonical SMILES for 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]prop-2-ene-1-thiol is C=C(CS)CN1CCS(=O)CC1.
What is the InChIKey of 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]prop-2-ene-1-thiol?
The InChIKey is BJSXCNBVZMZMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS2/c1-8(7-11)6-9-2-4-12(10)5-3-9/h11H,1-7H2.
What are the key properties of 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]prop-2-ene-1-thiol?
2-[(1-oxo-1,4-thiazinan-4-yl)methyl]prop-2-ene-1-thiol has a molecular weight of 205.35 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]prop-2-ene-1-thiol is sourced from PubChem (CID 103073381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).