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

C12H24N2OS — CID 62261951

IUPACN-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCSCC2)CCOC1
InChIInChI=1S/C12H24N2OS/c1-2-13-9-12(3-6-15-11-12)10-14-4-7-16-8-5-14/h13H,2-11H2,1H3
InChIKeyUPXAHDYRYGQDJS-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.05
Rot. Bonds5

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

N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]ethanamine (PubChem CID 62261951) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
PubChem CID62261951
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCSCC2)CCOC1
InChIInChI=1S/C12H24N2OS/c1-2-13-9-12(3-6-15-11-12)10-14-4-7-16-8-5-14/h13H,2-11H2,1H3
InChIKeyUPXAHDYRYGQDJS-UHFFFAOYSA-N
XLogP1.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]ethanamine (CID 62261951) is N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]ethanamine is CCNCC1(CN2CCSCC2)CCOC1.
What is the InChIKey of N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is UPXAHDYRYGQDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-2-13-9-12(3-6-15-11-12)10-14-4-7-16-8-5-14/h13H,2-11H2,1H3.
What are the key properties of N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]ethanamine?
N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]ethanamine has a molecular weight of 244.40 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62261951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).