N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine

C13H26N2O2S — CID 102886942

IUPACN-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC1N1CCS(=O)(=O)CC1C
InChIInChI=1S/C13H26N2O2S/c1-10(2)14-8-12-4-5-13(12)15-6-7-18(16,17)9-11(15)3/h10-14H,4-9H2,1-3H3
InChIKeySKUSOKOVZIOARS-UHFFFAOYSA-N
MW274.43 g/mol
LogP0.88
Rot. Bonds4

About N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine

N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine (PubChem CID 102886942) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine
PubChem CID102886942
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC1N1CCS(=O)(=O)CC1C
InChIInChI=1S/C13H26N2O2S/c1-10(2)14-8-12-4-5-13(12)15-6-7-18(16,17)9-11(15)3/h10-14H,4-9H2,1-3H3
InChIKeySKUSOKOVZIOARS-UHFFFAOYSA-N
XLogP0.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine
CID 80998125
N-[[2-(2-methylazepan-1-yl)cyclobutyl]methyl]propan-2-amine
CID 81005662
N-[[2-(2,4-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-2-amine
CID 80998432
N-[[2-(2,5-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-2-amine
CID 81005586
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclobutyl]methyl]propan-2-amine
CID 80997996
N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-2-amine
CID 81005411
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cycloheptane-1-carbonitrile
CID 102883430
N-[[2-(3,5-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-2-amine
CID 80998052
N-[[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]methyl]propan-2-amine
CID 63848761
N-[[2-(2-methylpiperidin-1-yl)cyclobutyl]methyl]ethanamine
CID 81000100
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutan-1-amine
CID 102887540
N-[[2-(3,3-diethylpyrrolidin-1-yl)cyclobutyl]methyl]propan-2-amine
CID 81005595

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine (CID 102886942) is N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine is CC(C)NCC1CCC1N1CCS(=O)(=O)CC1C.
What is the InChIKey of N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is SKUSOKOVZIOARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-10(2)14-8-12-4-5-13(12)15-6-7-18(16,17)9-11(15)3/h10-14H,4-9H2,1-3H3.
What are the key properties of N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine?
N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 274.43 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 102886942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).