N-methyl-1-[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine

C11H22N2OS — CID 62261950

IUPACN-methyl-1-[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine
SMILESCNCC1(CN2CCSCC2)CCOC1
InChIInChI=1S/C11H22N2OS/c1-12-8-11(2-5-14-10-11)9-13-3-6-15-7-4-13/h12H,2-10H2,1H3
InChIKeyWJOLWVRKKFYLIJ-UHFFFAOYSA-N
MW230.38 g/mol
LogP0.66
Rot. Bonds4

About N-methyl-1-[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine

N-methyl-1-[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine (PubChem CID 62261950) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-methyl-1-[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine
PubChem CID62261950
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-methyl-1-[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine
SMILESCNCC1(CN2CCSCC2)CCOC1
InChIInChI=1S/C11H22N2OS/c1-12-8-11(2-5-14-10-11)9-13-3-6-15-7-4-13/h12H,2-10H2,1H3
InChIKeyWJOLWVRKKFYLIJ-UHFFFAOYSA-N
XLogP0.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 50.66
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-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine (CID 62261950) is N-methyl-1-[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine is CNCC1(CN2CCSCC2)CCOC1.
What is the InChIKey of N-methyl-1-[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine?
The InChIKey is WJOLWVRKKFYLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-12-8-11(2-5-14-10-11)9-13-3-6-15-7-4-13/h12H,2-10H2,1H3.
What are the key properties of N-methyl-1-[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine?
N-methyl-1-[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine has a molecular weight of 230.38 g/mol, XLogP of 0.66, 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-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine is sourced from PubChem (CID 62261950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).