3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropanethioamide

C8H16N2O2S2 — CID 43581490

IUPAC3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropanethioamide
SMILESCC(CN1CCS(=O)(=O)CC1)C(N)=S
InChIInChI=1S/C8H16N2O2S2/c1-7(8(9)13)6-10-2-4-14(11,12)5-3-10/h7H,2-6H2,1H3,(H2,9,13)
InChIKeyBTPSPLKQZLOFDO-UHFFFAOYSA-N
MW236.36 g/mol
LogP-0.36
Rot. Bonds3

About 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropanethioamide

3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropanethioamide (PubChem CID 43581490) has the molecular formula C8H16N2O2S2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropanethioamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropanethioamide
PubChem CID43581490
Molecular FormulaC8H16N2O2S2
Molecular Weight236.36 g/mol
Exact Mass236.07
IUPAC Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropanethioamide
SMILESCC(CN1CCS(=O)(=O)CC1)C(N)=S
InChIInChI=1S/C8H16N2O2S2/c1-7(8(9)13)6-10-2-4-14(11,12)5-3-10/h7H,2-6H2,1H3,(H2,9,13)
InChIKeyBTPSPLKQZLOFDO-UHFFFAOYSA-N
XLogP-0.36
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1,1-Dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropanethioamide
CID 103368549
3,3,3-Trifluoro-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]propanethioamide
CID 103368768
2-[(3-Ethylsulfonylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropanethioamide
CID 103368769
3,3,3-Trifluoro-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]propanethioamide
CID 113807867
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylpropan-1-amine
CID 61348835
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-1-amine
CID 61349406
[6-(Aminomethyl)-4-methyl-1,1-dioxo-1,4-thiazinan-2-yl]methanamine
CID 117810192
2-Methyl-3-thiomorpholin-4-ylpropanethioamide
CID 43367812
3-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine
CID 43581206
4-(1,1-Dioxo-1,4-thiazinan-4-yl)butanethioamide
CID 43581484
3-(1,1-Dioxo-1,4-thiazinan-4-yl)propanethioamide
CID 43581486
3-(1,1-Dioxo-1,4-thiazinan-4-yl)pentanethioamide
CID 43581492

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropanethioamide?
The IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropanethioamide (CID 43581490) is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropanethioamide.
What is the SMILES notation for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropanethioamide?
The canonical SMILES for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropanethioamide is CC(CN1CCS(=O)(=O)CC1)C(N)=S.
What is the InChIKey of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropanethioamide?
The InChIKey is BTPSPLKQZLOFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S2/c1-7(8(9)13)6-10-2-4-14(11,12)5-3-10/h7H,2-6H2,1H3,(H2,9,13).
What are the key properties of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropanethioamide?
3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropanethioamide has a molecular weight of 236.36 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropanethioamide is sourced from PubChem (CID 43581490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).