4-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]oxolan-3-amine

C11H22N2OS — CID 66262801

IUPAC4-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]oxolan-3-amine
SMILESCC1CSCCN1CC1(C)COCC1N
InChIInChI=1S/C11H22N2OS/c1-9-6-15-4-3-13(9)7-11(2)8-14-5-10(11)12/h9-10H,3-8,12H2,1-2H3
InChIKeyJXMLOJQJNNPFDK-UHFFFAOYSA-N
MW230.38 g/mol
LogP0.79
Rot. Bonds2

About 4-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]oxolan-3-amine

4-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]oxolan-3-amine (PubChem CID 66262801) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 4-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]oxolan-3-amine
PubChem CID66262801
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name4-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]oxolan-3-amine
SMILESCC1CSCCN1CC1(C)COCC1N
InChIInChI=1S/C11H22N2OS/c1-9-6-15-4-3-13(9)7-11(2)8-14-5-10(11)12/h9-10H,3-8,12H2,1-2H3
InChIKeyJXMLOJQJNNPFDK-UHFFFAOYSA-N
XLogP0.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-methyloxolan-3-amine
CID 66378347
4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-4-methyloxolan-3-amine
CID 66263076
1-[(3-methylthiomorpholin-4-yl)methyl]cyclobutan-1-amine
CID 81170046
4-(2,5-dihydropyrrol-1-ylmethyl)-4-methyloxolan-3-amine
CID 131140835
4-[(2-ethyl-4-methyl-1,4-diazepan-1-yl)methyl]-4-methyloxolan-3-amine
CID 114087166
4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methyloxolan-3-amine
CID 66263915
3-methyl-4-[[(2S)-oxiran-2-yl]methyl]thiomorpholine
CID 126975144
4-(4-amino-3-methyloxolane-3-carbonyl)thiomorpholine-3-carboxylic acid
CID 82904018
2,2,5,5-tetramethyl-4-[(3-methylthiomorpholin-4-yl)methyl]oxolan-3-one
CID 79934477
N'-hydroxy-2-(3-methylthiomorpholin-4-yl)ethanimidamide
CID 77015831
4-(2-fluorobutyl)-3-methylthiomorpholine
CID 130684425
3-methyl-4-[(2-methylcyclopropyl)methyl]thiomorpholine
CID 131176317

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]oxolan-3-amine?
The IUPAC name of 4-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]oxolan-3-amine (CID 66262801) is 4-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 4-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]oxolan-3-amine?
The canonical SMILES for 4-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]oxolan-3-amine is CC1CSCCN1CC1(C)COCC1N.
What is the InChIKey of 4-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]oxolan-3-amine?
The InChIKey is JXMLOJQJNNPFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-9-6-15-4-3-13(9)7-11(2)8-14-5-10(11)12/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 4-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]oxolan-3-amine?
4-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]oxolan-3-amine has a molecular weight of 230.38 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 66262801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).