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

C14H28N2O3S — CID 62257009

IUPACN-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(CN2CCS(=O)(=O)CC2)CCOC1
InChIInChI=1S/C14H28N2O3S/c1-13(2)9-15-10-14(3-6-19-12-14)11-16-4-7-20(17,18)8-5-16/h13,15H,3-12H2,1-2H3
InChIKeySIPXHJDABWPPHG-UHFFFAOYSA-N
MW304.46 g/mol
LogP0.37
Rot. Bonds6

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

N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62257009) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID62257009
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(CN2CCS(=O)(=O)CC2)CCOC1
InChIInChI=1S/C14H28N2O3S/c1-13(2)9-15-10-14(3-6-19-12-14)11-16-4-7-20(17,18)8-5-16/h13,15H,3-12H2,1-2H3
InChIKeySIPXHJDABWPPHG-UHFFFAOYSA-N
XLogP0.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine (CID 62257009) is N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(CN2CCS(=O)(=O)CC2)CCOC1.
What is the InChIKey of N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is SIPXHJDABWPPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-13(2)9-15-10-14(3-6-19-12-14)11-16-4-7-20(17,18)8-5-16/h13,15H,3-12H2,1-2H3.
What are the key properties of N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62257009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).