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

C11H22N2O2S — CID 62391156

IUPAC[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine
SMILESNCC1(CN2CCS(=O)CC2)CCOCC1
InChIInChI=1S/C11H22N2O2S/c12-9-11(1-5-15-6-2-11)10-13-3-7-16(14)8-4-13/h1-10,12H2
InChIKeyWCMPHFGEVIZHKR-UHFFFAOYSA-N
MW246.38 g/mol
LogP-0.19
Rot. Bonds3

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

[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine (PubChem CID 62391156) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine
PubChem CID62391156
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine
SMILESNCC1(CN2CCS(=O)CC2)CCOCC1
InChIInChI=1S/C11H22N2O2S/c12-9-11(1-5-15-6-2-11)10-13-3-7-16(14)8-4-13/h1-10,12H2
InChIKeyWCMPHFGEVIZHKR-UHFFFAOYSA-N
XLogP-0.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanol
CID 62392754
[1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclobutyl]methanamine
CID 115448951
N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066713
1-[[4-(aminomethyl)oxan-4-yl]methyl]piperidin-4-ol
CID 62390578
[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine
CID 62263069
1-[[4-(bromomethyl)oxan-4-yl]methyl]pyrrolidine
CID 65004744
4-[(4-ethylpiperidin-4-yl)methyl]-1,4-thiazinane 1-oxide
CID 63129878
1-[[4-(aminomethyl)oxan-4-yl]methyl]-4-methylpiperidin-3-ol
CID 102967050
[1-(pyrrolidin-1-ylmethyl)cyclopentyl]methanamine
CID 62261664
[1-[(4-fluoropiperidin-1-yl)methyl]cyclopropyl]methanamine
CID 164659485
4-[[4-(bromomethyl)oxan-4-yl]methyl]thiomorpholine
CID 65004698
[4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)oxan-4-yl]methanamine
CID 63152906

Frequently Asked Questions

What is the IUPAC name of [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine?
The IUPAC name of [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine (CID 62391156) is [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine.
What is the SMILES notation for [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine?
The canonical SMILES for [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine is NCC1(CN2CCS(=O)CC2)CCOCC1.
What is the InChIKey of [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine?
The InChIKey is WCMPHFGEVIZHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c12-9-11(1-5-15-6-2-11)10-13-3-7-16(14)8-4-13/h1-10,12H2.
What are the key properties of [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine?
[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine has a molecular weight of 246.38 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine is sourced from PubChem (CID 62391156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).