methyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(methylamino)pentanoate

C12H24N2O4S — CID 64711936

IUPACmethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(methylamino)pentanoate
SMILESCNC(C)(CC(C)N1CCS(=O)(=O)CC1)C(=O)OC
InChIInChI=1S/C12H24N2O4S/c1-10(9-12(2,13-3)11(15)18-4)14-5-7-19(16,17)8-6-14/h10,13H,5-9H2,1-4H3
InChIKeyUUMMKBGBIOFUGL-UHFFFAOYSA-N
MW292.40 g/mol
LogP-0.35
Rot. Bonds5

About methyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(methylamino)pentanoate

methyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(methylamino)pentanoate (PubChem CID 64711936) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is methyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(methylamino)pentanoate
PubChem CID64711936
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Namemethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(methylamino)pentanoate
SMILESCNC(C)(CC(C)N1CCS(=O)(=O)CC1)C(=O)OC
InChIInChI=1S/C12H24N2O4S/c1-10(9-12(2,13-3)11(15)18-4)14-5-7-19(16,17)8-6-14/h10,13H,5-9H2,1-4H3
InChIKeyUUMMKBGBIOFUGL-UHFFFAOYSA-N
XLogP-0.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(methylamino)pentanoate with MolForge

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Related Compounds

methyl 2-methyl-2-(methylamino)-4-(2-methylmorpholin-4-yl)pentanoate
CID 64726592
4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64726747
methyl 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(methylamino)pentanoate
CID 64704163
methyl 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 65324725
methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylpyrrolidin-1-yl)pentanoate
CID 64709444
methyl 2-amino-4-[4-(dimethylamino)piperidin-1-yl]-2-methylpentanoate
CID 64712123
methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanoate
CID 64703591
2-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentanenitrile
CID 64725681
4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64704730
ethyl 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 102966600
methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pentanoate
CID 64705195
3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol
CID 104550741

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(methylamino)pentanoate?
The IUPAC name of methyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(methylamino)pentanoate (CID 64711936) is methyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for methyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(methylamino)pentanoate?
The canonical SMILES for methyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(methylamino)pentanoate is CNC(C)(CC(C)N1CCS(=O)(=O)CC1)C(=O)OC.
What is the InChIKey of methyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(methylamino)pentanoate?
The InChIKey is UUMMKBGBIOFUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-10(9-12(2,13-3)11(15)18-4)14-5-7-19(16,17)8-6-14/h10,13H,5-9H2,1-4H3.
What are the key properties of methyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(methylamino)pentanoate?
methyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(methylamino)pentanoate has a molecular weight of 292.40 g/mol, XLogP of -0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 64711936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).