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

C15H30N2O3S — CID 102886553

IUPACN-[[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCS(=O)(=O)CC2C)CCOCC1
InChIInChI=1S/C15H30N2O3S/c1-3-6-16-12-15(4-8-20-9-5-15)13-17-7-10-21(18,19)11-14(17)2/h14,16H,3-13H2,1-2H3
InChIKeyFSTGRWMYWBHRBR-UHFFFAOYSA-N
MW318.48 g/mol
LogP0.90
Rot. Bonds6

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

N-[[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine (PubChem CID 102886553) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is N-[[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine
PubChem CID102886553
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC NameN-[[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCS(=O)(=O)CC2C)CCOCC1
InChIInChI=1S/C15H30N2O3S/c1-3-6-16-12-15(4-8-20-9-5-15)13-17-7-10-21(18,19)11-14(17)2/h14,16H,3-13H2,1-2H3
InChIKeyFSTGRWMYWBHRBR-UHFFFAOYSA-N
XLogP0.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine (CID 102886553) is N-[[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine is CCCNCC1(CN2CCS(=O)(=O)CC2C)CCOCC1.
What is the InChIKey of N-[[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine?
The InChIKey is FSTGRWMYWBHRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-3-6-16-12-15(4-8-20-9-5-15)13-17-7-10-21(18,19)11-14(17)2/h14,16H,3-13H2,1-2H3.
What are the key properties of N-[[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine?
N-[[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine has a molecular weight of 318.48 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 102886553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).