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

C10H20N2O3S — CID 62258053

IUPAC[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine
SMILESNCC1(CN2CCS(=O)(=O)CC2)CCOC1
InChIInChI=1S/C10H20N2O3S/c11-7-10(1-4-15-9-10)8-12-2-5-16(13,14)6-3-12/h1-9,11H2
InChIKeyKQQVGBYPPPNRDO-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.92
Rot. Bonds3

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

[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine (PubChem CID 62258053) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is [3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine
PubChem CID62258053
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine
SMILESNCC1(CN2CCS(=O)(=O)CC2)CCOC1
InChIInChI=1S/C10H20N2O3S/c11-7-10(1-4-15-9-10)8-12-2-5-16(13,14)6-3-12/h1-9,11H2
InChIKeyKQQVGBYPPPNRDO-UHFFFAOYSA-N
XLogP-0.92
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine?
The IUPAC name of [3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine (CID 62258053) is [3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine.
What is the SMILES notation for [3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine?
The canonical SMILES for [3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine is NCC1(CN2CCS(=O)(=O)CC2)CCOC1.
What is the InChIKey of [3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine?
The InChIKey is KQQVGBYPPPNRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c11-7-10(1-4-15-9-10)8-12-2-5-16(13,14)6-3-12/h1-9,11H2.
What are the key properties of [3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine?
[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine has a molecular weight of 248.35 g/mol, XLogP of -0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine is sourced from PubChem (CID 62258053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).