2-methyl-3-(methylamino)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one

C10H20N2O3S — CID 103811877

IUPAC2-methyl-3-(methylamino)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
SMILESCNCC(C)C(=O)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C10H20N2O3S/c1-8(6-11-3)10(13)12-4-5-16(14,15)7-9(12)2/h8-9,11H,4-7H2,1-3H3
InChIKeyHJHUGIMEDNXOIS-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.51
Rot. Bonds3

About 2-methyl-3-(methylamino)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one

2-methyl-3-(methylamino)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one (PubChem CID 103811877) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
PubChem CID103811877
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-methyl-3-(methylamino)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
SMILESCNCC(C)C(=O)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C10H20N2O3S/c1-8(6-11-3)10(13)12-4-5-16(14,15)7-9(12)2/h8-9,11H,4-7H2,1-3H3
InChIKeyHJHUGIMEDNXOIS-UHFFFAOYSA-N
XLogP-0.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-(methylamino)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one with MolForge

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Related Compounds

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
3-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-4-oxobutanoic acid
CID 102883221
2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride
CID 119785159
(2S)-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]butanedioic acid
CID 102885035
3-methyl-N-(2-methylpropyl)-1,1-dioxo-1,4-thiazinane-4-carbothioamide
CID 102883053
(2S)-2-amino-3,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one
CID 113266999
(2R)-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 102885194
4-amino-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-4-oxobutanoic acid
CID 102885118
(2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-one
CID 103831799
1-(2,3-dimethylthiomorpholin-4-yl)-2-methyl-3-(methylamino)propan-1-one
CID 115740155
1-(2,6-dimethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 119792033

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one?
The IUPAC name of 2-methyl-3-(methylamino)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one (CID 103811877) is 2-methyl-3-(methylamino)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one.
What is the SMILES notation for 2-methyl-3-(methylamino)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one?
The canonical SMILES for 2-methyl-3-(methylamino)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one is CNCC(C)C(=O)N1CCS(=O)(=O)CC1C.
What is the InChIKey of 2-methyl-3-(methylamino)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one?
The InChIKey is HJHUGIMEDNXOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-8(6-11-3)10(13)12-4-5-16(14,15)7-9(12)2/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 2-methyl-3-(methylamino)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one?
2-methyl-3-(methylamino)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one has a molecular weight of 248.35 g/mol, XLogP of -0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one is sourced from PubChem (CID 103811877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).