5-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-one

C10H20N2O3S — CID 104683713

IUPAC5-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-one
SMILESCC(CCCN)C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H20N2O3S/c1-9(3-2-4-11)10(13)12-5-7-16(14,15)8-6-12/h9H,2-8,11H2,1H3
InChIKeyFMNXYSZKIBICQG-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.38
Rot. Bonds4

About 5-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-one

5-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-one (PubChem CID 104683713) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 5-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-one
PubChem CID104683713
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name5-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-one
SMILESCC(CCCN)C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H20N2O3S/c1-9(3-2-4-11)10(13)12-5-7-16(14,15)8-6-12/h9H,2-8,11H2,1H3
InChIKeyFMNXYSZKIBICQG-UHFFFAOYSA-N
XLogP-0.38
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-amino-2-methylpentanoyl)piperazine-1-sulfonamide
CID 113440928
5-amino-2-methyl-1-(1,4-thiazepan-4-yl)pentan-1-one
CID 104684861
5-amino-1-(4,4-diethylpiperidin-1-yl)-2-methylpentan-1-one
CID 113441000
5-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-methylpentan-1-one
CID 104684531
5-amino-1-(4-tert-butylpiperidin-1-yl)-2-methylpentan-1-one
CID 113440980
5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 104683408
5-amino-1-(2,2-dimethylmorpholin-4-yl)-2-methylpentan-1-one
CID 104683727
5-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 104685126
N-[1-(5-amino-2-methylpentanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 104684454
5-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 104683725
4-(5-amino-2-methylpentanoyl)piperazin-2-one
CID 104683524
5-amino-2-methyl-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
CID 104684580

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-one?
The IUPAC name of 5-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-one (CID 104683713) is 5-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-one?
The canonical SMILES for 5-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-one is CC(CCCN)C(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of 5-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-one?
The InChIKey is FMNXYSZKIBICQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-9(3-2-4-11)10(13)12-5-7-16(14,15)8-6-12/h9H,2-8,11H2,1H3.
What are the key properties of 5-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-one?
5-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-one has a molecular weight of 248.35 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-one is sourced from PubChem (CID 104683713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).