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

C15H24N2O2S — CID 102884896

IUPACN-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1N1CCS(=O)(=O)CC1C
InChIInChI=1S/C15H24N2O2S/c1-3-8-16-11-14-6-4-5-7-15(14)17-9-10-20(18,19)12-13(17)2/h4-7,13,16H,3,8-12H2,1-2H3
InChIKeyOGUXBRSTUXMOGE-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.81
Rot. Bonds5

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

N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-1-amine (PubChem CID 102884896) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-1-amine
PubChem CID102884896
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1N1CCS(=O)(=O)CC1C
InChIInChI=1S/C15H24N2O2S/c1-3-8-16-11-14-6-4-5-7-15(14)17-9-10-20(18,19)12-13(17)2/h4-7,13,16H,3,8-12H2,1-2H3
InChIKeyOGUXBRSTUXMOGE-UHFFFAOYSA-N
XLogP1.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-1-amine (CID 102884896) is N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-1-amine is CCCNCc1ccccc1N1CCS(=O)(=O)CC1C.
What is the InChIKey of N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-1-amine?
The InChIKey is OGUXBRSTUXMOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-8-16-11-14-6-4-5-7-15(14)17-9-10-20(18,19)12-13(17)2/h4-7,13,16H,3,8-12H2,1-2H3.
What are the key properties of N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-1-amine?
N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-1-amine has a molecular weight of 296.44 g/mol, XLogP of 1.81, 5 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)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 102884896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).