N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine

C12H24N2O3S — CID 62256664

IUPACN-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCS(=O)(=O)CC2)CCOC1
InChIInChI=1S/C12H24N2O3S/c1-2-13-9-12(3-6-17-11-12)10-14-4-7-18(15,16)8-5-14/h13H,2-11H2,1H3
InChIKeyIRAZMKMWDJGUHU-UHFFFAOYSA-N
MW276.40 g/mol
LogP-0.27
Rot. Bonds5

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

N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine (PubChem CID 62256664) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine
PubChem CID62256664
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCS(=O)(=O)CC2)CCOC1
InChIInChI=1S/C12H24N2O3S/c1-2-13-9-12(3-6-17-11-12)10-14-4-7-18(15,16)8-5-14/h13H,2-11H2,1H3
InChIKeyIRAZMKMWDJGUHU-UHFFFAOYSA-N
XLogP-0.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 5-0.27
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]ethanamine?
The IUPAC name of N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine (CID 62256664) is N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine is CCNCC1(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]ethanamine?
The InChIKey is IRAZMKMWDJGUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-2-13-9-12(3-6-17-11-12)10-14-4-7-18(15,16)8-5-14/h13H,2-11H2,1H3.
What are the key properties of N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine?
N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine has a molecular weight of 276.40 g/mol, XLogP of -0.27, 5 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]ethanamine is sourced from PubChem (CID 62256664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).