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

C11H22N2O3S — CID 62256663

IUPAC1-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]-N-methylmethanamine
SMILESCNCC1(CN2CCS(=O)(=O)CC2)CCOC1
InChIInChI=1S/C11H22N2O3S/c1-12-8-11(2-5-16-10-11)9-13-3-6-17(14,15)7-4-13/h12H,2-10H2,1H3
InChIKeyIKWFFJMPXGYALO-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.66
Rot. Bonds4

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

1-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]-N-methylmethanamine (PubChem CID 62256663) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]-N-methylmethanamine
PubChem CID62256663
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name1-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]-N-methylmethanamine
SMILESCNCC1(CN2CCS(=O)(=O)CC2)CCOC1
InChIInChI=1S/C11H22N2O3S/c1-12-8-11(2-5-16-10-11)9-13-3-6-17(14,15)7-4-13/h12H,2-10H2,1H3
InChIKeyIKWFFJMPXGYALO-UHFFFAOYSA-N
XLogP-0.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]-N-methylmethanamine (CID 62256663) is 1-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]-N-methylmethanamine is CNCC1(CN2CCS(=O)(=O)CC2)CCOC1.
What is the InChIKey of 1-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]-N-methylmethanamine?
The InChIKey is IKWFFJMPXGYALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-12-8-11(2-5-16-10-11)9-13-3-6-17(14,15)7-4-13/h12H,2-10H2,1H3.
What are the key properties of 1-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]-N-methylmethanamine?
1-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]-N-methylmethanamine has a molecular weight of 262.37 g/mol, XLogP of -0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62256663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).