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

C11H22N2O2S — CID 62259566

IUPACN-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine
SMILESCNCC1(CN2CCS(=O)CC2)CCOC1
InChIInChI=1S/C11H22N2O2S/c1-12-8-11(2-5-15-10-11)9-13-3-6-16(14)7-4-13/h12H,2-10H2,1H3
InChIKeyATFJMBIWBVPXBO-UHFFFAOYSA-N
MW246.38 g/mol
LogP-0.32
Rot. Bonds4

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

N-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine (PubChem CID 62259566) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine
PubChem CID62259566
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine
SMILESCNCC1(CN2CCS(=O)CC2)CCOC1
InChIInChI=1S/C11H22N2O2S/c1-12-8-11(2-5-15-10-11)9-13-3-6-16(14)7-4-13/h12H,2-10H2,1H3
InChIKeyATFJMBIWBVPXBO-UHFFFAOYSA-N
XLogP-0.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine (CID 62259566) is N-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine is CNCC1(CN2CCS(=O)CC2)CCOC1.
What is the InChIKey of N-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine?
The InChIKey is ATFJMBIWBVPXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-12-8-11(2-5-15-10-11)9-13-3-6-16(14)7-4-13/h12H,2-10H2,1H3.
What are the key properties of N-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine?
N-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine has a molecular weight of 246.38 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine is sourced from PubChem (CID 62259566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).