N-methyl-3-[(2-methylthiomorpholin-4-yl)methyl]oxan-4-amine

C12H24N2OS — CID 103060877

IUPACN-methyl-3-[(2-methylthiomorpholin-4-yl)methyl]oxan-4-amine
SMILESCNC1CCOCC1CN1CCSC(C)C1
InChIInChI=1S/C12H24N2OS/c1-10-7-14(4-6-16-10)8-11-9-15-5-3-12(11)13-2/h10-13H,3-9H2,1-2H3
InChIKeyNDLMMUNYOGHLCD-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.05
Rot. Bonds3

About N-methyl-3-[(2-methylthiomorpholin-4-yl)methyl]oxan-4-amine

N-methyl-3-[(2-methylthiomorpholin-4-yl)methyl]oxan-4-amine (PubChem CID 103060877) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-methyl-3-[(2-methylthiomorpholin-4-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-methyl-3-[(2-methylthiomorpholin-4-yl)methyl]oxan-4-amine
PubChem CID103060877
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-methyl-3-[(2-methylthiomorpholin-4-yl)methyl]oxan-4-amine
SMILESCNC1CCOCC1CN1CCSC(C)C1
InChIInChI=1S/C12H24N2OS/c1-10-7-14(4-6-16-10)8-11-9-15-5-3-12(11)13-2/h10-13H,3-9H2,1-2H3
InChIKeyNDLMMUNYOGHLCD-UHFFFAOYSA-N
XLogP1.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[(4-methylpiperidin-1-yl)methyl]oxan-4-amine
CID 103058323
N-methyl-3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-4-amine
CID 103059892
3-(1,3-dihydroisoindol-2-ylmethyl)-N-methyloxan-4-amine
CID 103059029
3-[(2-methylthiomorpholin-4-yl)methyl]oxan-4-one
CID 103058177
3-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]-N-methyloxan-4-amine
CID 114083724
3-[(2-ethylthiomorpholin-4-yl)methyl]oxan-4-ol
CID 103061771
3-ethyl-N-methyl-1-(oxolan-3-ylmethyl)piperidin-4-amine
CID 114507784
N-methyl-4-(1,4-thiazepan-4-ylmethyl)oxolan-3-amine
CID 66245775
N-methyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine
CID 62973354
N-methyl-3-(2-methylpropyl)oxan-4-amine
CID 106469078
4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-methyloxolan-3-amine
CID 66245194
N-ethyl-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxan-4-amine
CID 103060481

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2-methylthiomorpholin-4-yl)methyl]oxan-4-amine?
The IUPAC name of N-methyl-3-[(2-methylthiomorpholin-4-yl)methyl]oxan-4-amine (CID 103060877) is N-methyl-3-[(2-methylthiomorpholin-4-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-methyl-3-[(2-methylthiomorpholin-4-yl)methyl]oxan-4-amine?
The canonical SMILES for N-methyl-3-[(2-methylthiomorpholin-4-yl)methyl]oxan-4-amine is CNC1CCOCC1CN1CCSC(C)C1.
What is the InChIKey of N-methyl-3-[(2-methylthiomorpholin-4-yl)methyl]oxan-4-amine?
The InChIKey is NDLMMUNYOGHLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-10-7-14(4-6-16-10)8-11-9-15-5-3-12(11)13-2/h10-13H,3-9H2,1-2H3.
What are the key properties of N-methyl-3-[(2-methylthiomorpholin-4-yl)methyl]oxan-4-amine?
N-methyl-3-[(2-methylthiomorpholin-4-yl)methyl]oxan-4-amine has a molecular weight of 244.40 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2-methylthiomorpholin-4-yl)methyl]oxan-4-amine is sourced from PubChem (CID 103060877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).