[4-(1,1-dioxo-1,4-thiazinan-4-yl)oxan-4-yl]methanamine

C10H20N2O3S — CID 43608743

IUPAC[4-(1,1-dioxo-1,4-thiazinan-4-yl)oxan-4-yl]methanamine
SMILESNCC1(N2CCS(=O)(=O)CC2)CCOCC1
InChIInChI=1S/C10H20N2O3S/c11-9-10(1-5-15-6-2-10)12-3-7-16(13,14)8-4-12/h1-9,11H2
InChIKeyUPFGRYVGABGZJZ-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.78
Rot. Bonds2

About [4-(1,1-dioxo-1,4-thiazinan-4-yl)oxan-4-yl]methanamine

[4-(1,1-dioxo-1,4-thiazinan-4-yl)oxan-4-yl]methanamine (PubChem CID 43608743) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is [4-(1,1-dioxo-1,4-thiazinan-4-yl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(1,1-dioxo-1,4-thiazinan-4-yl)oxan-4-yl]methanamine
PubChem CID43608743
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name[4-(1,1-dioxo-1,4-thiazinan-4-yl)oxan-4-yl]methanamine
SMILESNCC1(N2CCS(=O)(=O)CC2)CCOCC1
InChIInChI=1S/C10H20N2O3S/c11-9-10(1-5-15-6-2-10)12-3-7-16(13,14)8-4-12/h1-9,11H2
InChIKeyUPFGRYVGABGZJZ-UHFFFAOYSA-N
XLogP-0.78
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1,1-dioxo-1,4-thiazinan-4-yl)oxan-4-yl]methanamine?
The IUPAC name of [4-(1,1-dioxo-1,4-thiazinan-4-yl)oxan-4-yl]methanamine (CID 43608743) is [4-(1,1-dioxo-1,4-thiazinan-4-yl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(1,1-dioxo-1,4-thiazinan-4-yl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(1,1-dioxo-1,4-thiazinan-4-yl)oxan-4-yl]methanamine is NCC1(N2CCS(=O)(=O)CC2)CCOCC1.
What is the InChIKey of [4-(1,1-dioxo-1,4-thiazinan-4-yl)oxan-4-yl]methanamine?
The InChIKey is UPFGRYVGABGZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c11-9-10(1-5-15-6-2-10)12-3-7-16(13,14)8-4-12/h1-9,11H2.
What are the key properties of [4-(1,1-dioxo-1,4-thiazinan-4-yl)oxan-4-yl]methanamine?
[4-(1,1-dioxo-1,4-thiazinan-4-yl)oxan-4-yl]methanamine has a molecular weight of 248.35 g/mol, XLogP of -0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-dioxo-1,4-thiazinan-4-yl)oxan-4-yl]methanamine is sourced from PubChem (CID 43608743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).