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

C12H24N2O3S — CID 62390256

IUPAC1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]-N-methylmethanamine
SMILESCNCC1(CN2CCS(=O)(=O)CC2)CCOCC1
InChIInChI=1S/C12H24N2O3S/c1-13-10-12(2-6-17-7-3-12)11-14-4-8-18(15,16)9-5-14/h13H,2-11H2,1H3
InChIKeyDHFBITRLGULLCI-UHFFFAOYSA-N
MW276.40 g/mol
LogP-0.27
Rot. Bonds4

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

1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]-N-methylmethanamine (PubChem CID 62390256) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]-N-methylmethanamine
PubChem CID62390256
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]-N-methylmethanamine
SMILESCNCC1(CN2CCS(=O)(=O)CC2)CCOCC1
InChIInChI=1S/C12H24N2O3S/c1-13-10-12(2-6-17-7-3-12)11-14-4-8-18(15,16)9-5-14/h13H,2-11H2,1H3
InChIKeyDHFBITRLGULLCI-UHFFFAOYSA-N
XLogP-0.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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 1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]-N-methylmethanamine (CID 62390256) is 1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]-N-methylmethanamine is CNCC1(CN2CCS(=O)(=O)CC2)CCOCC1.
What is the InChIKey of 1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]-N-methylmethanamine?
The InChIKey is DHFBITRLGULLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-13-10-12(2-6-17-7-3-12)11-14-4-8-18(15,16)9-5-14/h13H,2-11H2,1H3.
What are the key properties of 1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]-N-methylmethanamine?
1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]-N-methylmethanamine has a molecular weight of 276.40 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]-N-methylmethanamine is sourced from PubChem (CID 62390256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).