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

C12H24N2O2S — CID 80998125

IUPACN-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC1N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O2S/c1-10(2)13-9-11-3-4-12(11)14-5-7-17(15,16)8-6-14/h10-13H,3-9H2,1-2H3
InChIKeyWMBPOEUQMSZJSF-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.49
Rot. Bonds4

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

N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine (PubChem CID 80998125) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine
PubChem CID80998125
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC1N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O2S/c1-10(2)13-9-11-3-4-12(11)14-5-7-17(15,16)8-6-14/h10-13H,3-9H2,1-2H3
InChIKeyWMBPOEUQMSZJSF-UHFFFAOYSA-N
XLogP0.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine (CID 80998125) is N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine is CC(C)NCC1CCC1N1CCS(=O)(=O)CC1.
What is the InChIKey of N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is WMBPOEUQMSZJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10(2)13-9-11-3-4-12(11)14-5-7-17(15,16)8-6-14/h10-13H,3-9H2,1-2H3.
What are the key properties of N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine?
N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 260.40 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 80998125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).