1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbothioamide

C11H18N2O3S2 — CID 102883447

IUPAC1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbothioamide
SMILESCC1CS(=O)(=O)CCN1C(=O)C1(C(N)=S)CCC1
InChIInChI=1S/C11H18N2O3S2/c1-8-7-18(15,16)6-5-13(8)10(14)11(9(12)17)3-2-4-11/h8H,2-7H2,1H3,(H2,12,17)
InChIKeyCSJLKZKWLJKTMZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.09
Rot. Bonds2

About 1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbothioamide

1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbothioamide (PubChem CID 102883447) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbothioamide.

Molecular Properties

Compound Name1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbothioamide
PubChem CID102883447
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC Name1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbothioamide
SMILESCC1CS(=O)(=O)CCN1C(=O)C1(C(N)=S)CCC1
InChIInChI=1S/C11H18N2O3S2/c1-8-7-18(15,16)6-5-13(8)10(14)11(9(12)17)3-2-4-11/h8H,2-7H2,1H3,(H2,12,17)
InChIKeyCSJLKZKWLJKTMZ-UHFFFAOYSA-N
XLogP0.09
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.09
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

1-(azetidine-1-carbonyl)cyclopentane-1-carbothioamide
CID 126980533
1-(2,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carbothioamide
CID 80589082
1-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]cycloheptane-1-carbothioamide
CID 104967482
1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclobutane-1-carbothioamide
CID 114536931
[1-(4-aminophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102883352
1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-2-en-1-one
CID 102883016
N'-amino-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide
CID 102884051
(3-ethylpiperidin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102883218
1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cycloheptane-1-carbothioamide
CID 81194882
1-(4-cyclopropylpiperazine-1-carbonyl)cyclobutane-1-carbothioamide
CID 80589211
1-(2-cyclopentylpyrrolidine-1-carbonyl)cyclobutane-1-carbothioamide
CID 80589331
methyl 1-(1-carbamothioylcyclobutanecarbonyl)piperidine-2-carboxylate
CID 115534684

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbothioamide?
The IUPAC name of 1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbothioamide (CID 102883447) is 1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbothioamide.
What is the SMILES notation for 1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbothioamide?
The canonical SMILES for 1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbothioamide is CC1CS(=O)(=O)CCN1C(=O)C1(C(N)=S)CCC1.
What is the InChIKey of 1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbothioamide?
The InChIKey is CSJLKZKWLJKTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-8-7-18(15,16)6-5-13(8)10(14)11(9(12)17)3-2-4-11/h8H,2-7H2,1H3,(H2,12,17).
What are the key properties of 1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbothioamide?
1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbothioamide has a molecular weight of 290.41 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbothioamide is sourced from PubChem (CID 102883447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).