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

C10H20N2OS — CID 62263069

IUPAC[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine
SMILESNCC1(CN2CCSCC2)CCOC1
InChIInChI=1S/C10H20N2OS/c11-7-10(1-4-13-9-10)8-12-2-5-14-6-3-12/h1-9,11H2
InChIKeyKOIZADZTTBEZCG-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.40
Rot. Bonds3

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

[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine (PubChem CID 62263069) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is [3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine
PubChem CID62263069
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine
SMILESNCC1(CN2CCSCC2)CCOC1
InChIInChI=1S/C10H20N2OS/c11-7-10(1-4-13-9-10)8-12-2-5-14-6-3-12/h1-9,11H2
InChIKeyKOIZADZTTBEZCG-UHFFFAOYSA-N
XLogP0.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine?
The IUPAC name of [3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine (CID 62263069) is [3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine.
What is the SMILES notation for [3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine?
The canonical SMILES for [3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine is NCC1(CN2CCSCC2)CCOC1.
What is the InChIKey of [3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine?
The InChIKey is KOIZADZTTBEZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c11-7-10(1-4-13-9-10)8-12-2-5-14-6-3-12/h1-9,11H2.
What are the key properties of [3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine?
[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine has a molecular weight of 216.35 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine is sourced from PubChem (CID 62263069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).