[3-(3,3-dimethylmorpholin-4-yl)thiolan-3-yl]methanamine

C11H22N2OS — CID 61429921

IUPAC[3-(3,3-dimethylmorpholin-4-yl)thiolan-3-yl]methanamine
SMILESCC1(C)COCCN1C1(CN)CCSC1
InChIInChI=1S/C11H22N2OS/c1-10(2)8-14-5-4-13(10)11(7-12)3-6-15-9-11/h3-9,12H2,1-2H3
InChIKeyMIQCCDNIBXVJER-UHFFFAOYSA-N
MW230.38 g/mol
LogP0.93
Rot. Bonds2

About [3-(3,3-dimethylmorpholin-4-yl)thiolan-3-yl]methanamine

[3-(3,3-dimethylmorpholin-4-yl)thiolan-3-yl]methanamine (PubChem CID 61429921) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is [3-(3,3-dimethylmorpholin-4-yl)thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3,3-dimethylmorpholin-4-yl)thiolan-3-yl]methanamine
PubChem CID61429921
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name[3-(3,3-dimethylmorpholin-4-yl)thiolan-3-yl]methanamine
SMILESCC1(C)COCCN1C1(CN)CCSC1
InChIInChI=1S/C11H22N2OS/c1-10(2)8-14-5-4-13(10)11(7-12)3-6-15-9-11/h3-9,12H2,1-2H3
InChIKeyMIQCCDNIBXVJER-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3,3-dimethylmorpholin-4-yl)thiolan-3-yl]methanamine?
The IUPAC name of [3-(3,3-dimethylmorpholin-4-yl)thiolan-3-yl]methanamine (CID 61429921) is [3-(3,3-dimethylmorpholin-4-yl)thiolan-3-yl]methanamine.
What is the SMILES notation for [3-(3,3-dimethylmorpholin-4-yl)thiolan-3-yl]methanamine?
The canonical SMILES for [3-(3,3-dimethylmorpholin-4-yl)thiolan-3-yl]methanamine is CC1(C)COCCN1C1(CN)CCSC1.
What is the InChIKey of [3-(3,3-dimethylmorpholin-4-yl)thiolan-3-yl]methanamine?
The InChIKey is MIQCCDNIBXVJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-10(2)8-14-5-4-13(10)11(7-12)3-6-15-9-11/h3-9,12H2,1-2H3.
What are the key properties of [3-(3,3-dimethylmorpholin-4-yl)thiolan-3-yl]methanamine?
[3-(3,3-dimethylmorpholin-4-yl)thiolan-3-yl]methanamine has a molecular weight of 230.38 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,3-dimethylmorpholin-4-yl)thiolan-3-yl]methanamine is sourced from PubChem (CID 61429921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).