[3-(3-methylmorpholin-4-yl)thiolan-3-yl]methanamine

C10H20N2OS — CID 43541939

IUPAC[3-(3-methylmorpholin-4-yl)thiolan-3-yl]methanamine
SMILESCC1COCCN1C1(CN)CCSC1
InChIInChI=1S/C10H20N2OS/c1-9-6-13-4-3-12(9)10(7-11)2-5-14-8-10/h9H,2-8,11H2,1H3
InChIKeyCETQUNARPZAXDN-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.54
Rot. Bonds2

About [3-(3-methylmorpholin-4-yl)thiolan-3-yl]methanamine

[3-(3-methylmorpholin-4-yl)thiolan-3-yl]methanamine (PubChem CID 43541939) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is [3-(3-methylmorpholin-4-yl)thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3-methylmorpholin-4-yl)thiolan-3-yl]methanamine
PubChem CID43541939
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name[3-(3-methylmorpholin-4-yl)thiolan-3-yl]methanamine
SMILESCC1COCCN1C1(CN)CCSC1
InChIInChI=1S/C10H20N2OS/c1-9-6-13-4-3-12(9)10(7-11)2-5-14-8-10/h9H,2-8,11H2,1H3
InChIKeyCETQUNARPZAXDN-UHFFFAOYSA-N
XLogP0.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methylmorpholin-4-yl)thiolan-3-yl]methanamine?
The IUPAC name of [3-(3-methylmorpholin-4-yl)thiolan-3-yl]methanamine (CID 43541939) is [3-(3-methylmorpholin-4-yl)thiolan-3-yl]methanamine.
What is the SMILES notation for [3-(3-methylmorpholin-4-yl)thiolan-3-yl]methanamine?
The canonical SMILES for [3-(3-methylmorpholin-4-yl)thiolan-3-yl]methanamine is CC1COCCN1C1(CN)CCSC1.
What is the InChIKey of [3-(3-methylmorpholin-4-yl)thiolan-3-yl]methanamine?
The InChIKey is CETQUNARPZAXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-9-6-13-4-3-12(9)10(7-11)2-5-14-8-10/h9H,2-8,11H2,1H3.
What are the key properties of [3-(3-methylmorpholin-4-yl)thiolan-3-yl]methanamine?
[3-(3-methylmorpholin-4-yl)thiolan-3-yl]methanamine has a molecular weight of 216.35 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylmorpholin-4-yl)thiolan-3-yl]methanamine is sourced from PubChem (CID 43541939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).