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

C11H22N2O3S — CID 62390255

IUPAC[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine
SMILESNCC1(CN2CCS(=O)(=O)CC2)CCOCC1
InChIInChI=1S/C11H22N2O3S/c12-9-11(1-5-16-6-2-11)10-13-3-7-17(14,15)8-4-13/h1-10,12H2
InChIKeyWLDQAMLLBBFUHA-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.53
Rot. Bonds3

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

[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine (PubChem CID 62390255) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is [4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine
PubChem CID62390255
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine
SMILESNCC1(CN2CCS(=O)(=O)CC2)CCOCC1
InChIInChI=1S/C11H22N2O3S/c12-9-11(1-5-16-6-2-11)10-13-3-7-17(14,15)8-4-13/h1-10,12H2
InChIKeyWLDQAMLLBBFUHA-UHFFFAOYSA-N
XLogP-0.53
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine with MolForge

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Related Compounds

9-Oxa-1lambda6-thia-4-azaspiro[5.5]undecane 1,1-dioxide;hydrochloride
CID 177801891
4-Methyl-4-[2-[(tetrahydro-2h-pyran-4-yl)sulfonyl]ethyl]piperidine
CID 69263531
[4-Methyl-1-[(4-methylsulfonyloxan-4-yl)methyl]piperidin-4-yl]methanamine
CID 69820467
4-Methyl-4-[2-(oxan-2-ylsulfonyl)ethyl]piperidine
CID 90947247
4-(7-Oxa-2-azaspiro[3.5]nonan-6-yl)-1,4-thiazinane 1,1-dioxide
CID 123695977
[4-(1,1-Dioxo-1,4-thiazinan-4-yl)oxan-4-yl]methanamine
CID 43608743
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 55066286
N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine
CID 55066378
N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066713
N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methyl]ethanamine
CID 55243985
[3-[(1,1-Dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methanamine
CID 62258053
[4-(Thiomorpholin-4-ylmethyl)oxan-4-yl]methanamine
CID 62390239

Frequently Asked Questions

What is the IUPAC name of [4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine?
The IUPAC name of [4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine (CID 62390255) is [4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine.
What is the SMILES notation for [4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine?
The canonical SMILES for [4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine is NCC1(CN2CCS(=O)(=O)CC2)CCOCC1.
What is the InChIKey of [4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine?
The InChIKey is WLDQAMLLBBFUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c12-9-11(1-5-16-6-2-11)10-13-3-7-17(14,15)8-4-13/h1-10,12H2.
What are the key properties of [4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine?
[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine has a molecular weight of 262.37 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine is sourced from PubChem (CID 62390255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).