2-methyl-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanethioamide

C10H18N2O2S2 — CID 114292103

IUPAC2-methyl-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanethioamide
SMILESCCC(C)(C(=O)N1CCS(=O)CC1)C(N)=S
InChIInChI=1S/C10H18N2O2S2/c1-3-10(2,8(11)15)9(13)12-4-6-16(14)7-5-12/h3-7H2,1-2H3,(H2,11,15)
InChIKeyRALXOVWALRTRDT-UHFFFAOYSA-N
MW262.40 g/mol
LogP0.28
Rot. Bonds3

About 2-methyl-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanethioamide

2-methyl-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanethioamide (PubChem CID 114292103) has the molecular formula C10H18N2O2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methyl-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanethioamide.

Molecular Properties

Compound Name2-methyl-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanethioamide
PubChem CID114292103
Molecular FormulaC10H18N2O2S2
Molecular Weight262.40 g/mol
Exact Mass262.08
IUPAC Name2-methyl-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanethioamide
SMILESCCC(C)(C(=O)N1CCS(=O)CC1)C(N)=S
InChIInChI=1S/C10H18N2O2S2/c1-3-10(2,8(11)15)9(13)12-4-6-16(14)7-5-12/h3-7H2,1-2H3,(H2,11,15)
InChIKeyRALXOVWALRTRDT-UHFFFAOYSA-N
XLogP0.28
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetylpiperazine-1-carbonyl)-2-methylbutanethioamide
CID 113270456
2-methyl-2-(4-propylpiperidine-1-carbonyl)butanethioamide
CID 113270623
2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)butanethioamide
CID 114292403
2-methyl-2-(1,4-oxazepane-4-carbonyl)butanethioamide
CID 114292257
2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-methylbutanethioamide
CID 114292277
2-methyl-2-(3-oxopiperazine-1-carbonyl)butanethioamide
CID 114291850
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-2-methylbutanethioamide
CID 102726414
2-methyl-2-(2-propylpiperidine-1-carbonyl)butanethioamide
CID 83055527
4-(2-carbamothioyl-2-methylbutanoyl)morpholine-3-carboxamide
CID 83101865
N'-hydroxy-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanimidamide
CID 76926596
N,N-diethyl-1-oxo-1,4-thiazinane-4-carboxamide
CID 116654802
2-methyl-2-(3-methylsulfonylthiomorpholine-4-carbonyl)butanethioamide
CID 114292395

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanethioamide?
The IUPAC name of 2-methyl-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanethioamide (CID 114292103) is 2-methyl-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanethioamide.
What is the SMILES notation for 2-methyl-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanethioamide?
The canonical SMILES for 2-methyl-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanethioamide is CCC(C)(C(=O)N1CCS(=O)CC1)C(N)=S.
What is the InChIKey of 2-methyl-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanethioamide?
The InChIKey is RALXOVWALRTRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S2/c1-3-10(2,8(11)15)9(13)12-4-6-16(14)7-5-12/h3-7H2,1-2H3,(H2,11,15).
What are the key properties of 2-methyl-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanethioamide?
2-methyl-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanethioamide has a molecular weight of 262.40 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanethioamide is sourced from PubChem (CID 114292103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).