3-methyl-N-(2-methylpropyl)-1,1-dioxo-1,4-thiazinane-4-carbothioamide

C10H20N2O2S2 — CID 102883053

IUPAC3-methyl-N-(2-methylpropyl)-1,1-dioxo-1,4-thiazinane-4-carbothioamide
SMILESCC(C)CNC(=S)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C10H20N2O2S2/c1-8(2)6-11-10(15)12-4-5-16(13,14)7-9(12)3/h8-9H,4-7H2,1-3H3,(H,11,15)
InChIKeyVNKVNYSZJKLZBG-UHFFFAOYSA-N
MW264.42 g/mol
LogP0.64
Rot. Bonds2

About 3-methyl-N-(2-methylpropyl)-1,1-dioxo-1,4-thiazinane-4-carbothioamide

3-methyl-N-(2-methylpropyl)-1,1-dioxo-1,4-thiazinane-4-carbothioamide (PubChem CID 102883053) has the molecular formula C10H20N2O2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)-1,1-dioxo-1,4-thiazinane-4-carbothioamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)-1,1-dioxo-1,4-thiazinane-4-carbothioamide
PubChem CID102883053
Molecular FormulaC10H20N2O2S2
Molecular Weight264.42 g/mol
Exact Mass264.10
IUPAC Name3-methyl-N-(2-methylpropyl)-1,1-dioxo-1,4-thiazinane-4-carbothioamide
SMILESCC(C)CNC(=S)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C10H20N2O2S2/c1-8(2)6-11-10(15)12-4-5-16(13,14)7-9(12)3/h8-9H,4-7H2,1-3H3,(H,11,15)
InChIKeyVNKVNYSZJKLZBG-UHFFFAOYSA-N
XLogP0.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 50.64
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

N-butyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carbothioamide
CID 102883055
2-methyl-N-(2-methylpropyl)piperidine-1-carbothioamide
CID 17276176
2-methyl-3-(methylamino)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 103811877
3-methyl-N-(2-methylpropyl)thiomorpholine-4-carbothioamide
CID 115641145
3-methyl-2-[[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]methyl]butanoic acid
CID 102885317
(2S)-4-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]pentanoic acid
CID 102885060
(2S)-2-amino-3-methyl-N-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]butanamide
CID 103885017
2-methyl-N-(2-methylpropyl)-3-oxopiperazine-1-carbothioamide
CID 116508580
2-methyl-N-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propyl]propan-1-amine
CID 102886819
(2S)-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]butanedioic acid
CID 102885035
3-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-4-oxobutanoic acid
CID 102883221
3-chloro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 102883010

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)-1,1-dioxo-1,4-thiazinane-4-carbothioamide?
The IUPAC name of 3-methyl-N-(2-methylpropyl)-1,1-dioxo-1,4-thiazinane-4-carbothioamide (CID 102883053) is 3-methyl-N-(2-methylpropyl)-1,1-dioxo-1,4-thiazinane-4-carbothioamide.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)-1,1-dioxo-1,4-thiazinane-4-carbothioamide?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)-1,1-dioxo-1,4-thiazinane-4-carbothioamide is CC(C)CNC(=S)N1CCS(=O)(=O)CC1C.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)-1,1-dioxo-1,4-thiazinane-4-carbothioamide?
The InChIKey is VNKVNYSZJKLZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S2/c1-8(2)6-11-10(15)12-4-5-16(13,14)7-9(12)3/h8-9H,4-7H2,1-3H3,(H,11,15).
What are the key properties of 3-methyl-N-(2-methylpropyl)-1,1-dioxo-1,4-thiazinane-4-carbothioamide?
3-methyl-N-(2-methylpropyl)-1,1-dioxo-1,4-thiazinane-4-carbothioamide has a molecular weight of 264.42 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)-1,1-dioxo-1,4-thiazinane-4-carbothioamide is sourced from PubChem (CID 102883053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).