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

C12H24N2O2S — CID 62259736

IUPACN-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCS(=O)CC2)CCOC1
InChIInChI=1S/C12H24N2O2S/c1-2-13-9-12(3-6-16-11-12)10-14-4-7-17(15)8-5-14/h13H,2-11H2,1H3
InChIKeyNKEAGZKTRDQOLL-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.07
Rot. Bonds5

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

N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine (PubChem CID 62259736) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine
PubChem CID62259736
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCS(=O)CC2)CCOC1
InChIInChI=1S/C12H24N2O2S/c1-2-13-9-12(3-6-16-11-12)10-14-4-7-17(15)8-5-14/h13H,2-11H2,1H3
InChIKeyNKEAGZKTRDQOLL-UHFFFAOYSA-N
XLogP0.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine (CID 62259736) is N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine is CCNCC1(CN2CCS(=O)CC2)CCOC1.
What is the InChIKey of N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine?
The InChIKey is NKEAGZKTRDQOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-2-13-9-12(3-6-16-11-12)10-14-4-7-17(15)8-5-14/h13H,2-11H2,1H3.
What are the key properties of N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine?
N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine has a molecular weight of 260.40 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62259736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).