[4-(3-methoxyazetidin-1-yl)thian-4-yl]methanamine

C10H20N2OS — CID 130546873

IUPAC[4-(3-methoxyazetidin-1-yl)thian-4-yl]methanamine
SMILESCOC1CN(C2(CN)CCSCC2)C1
InChIInChI=1S/C10H20N2OS/c1-13-9-6-12(7-9)10(8-11)2-4-14-5-3-10/h9H,2-8,11H2,1H3
InChIKeySXSWJROYCNKMMQ-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.54
Rot. Bonds3

About [4-(3-methoxyazetidin-1-yl)thian-4-yl]methanamine

[4-(3-methoxyazetidin-1-yl)thian-4-yl]methanamine (PubChem CID 130546873) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is [4-(3-methoxyazetidin-1-yl)thian-4-yl]methanamine.

Molecular Properties

Compound Name[4-(3-methoxyazetidin-1-yl)thian-4-yl]methanamine
PubChem CID130546873
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name[4-(3-methoxyazetidin-1-yl)thian-4-yl]methanamine
SMILESCOC1CN(C2(CN)CCSCC2)C1
InChIInChI=1S/C10H20N2OS/c1-13-9-6-12(7-9)10(8-11)2-4-14-5-3-10/h9H,2-8,11H2,1H3
InChIKeySXSWJROYCNKMMQ-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-methoxyazetidin-1-yl)cyclopentyl]methanamine
CID 130546872
[3-(3-methoxypyrrolidin-1-yl)thiolan-3-yl]methanamine
CID 103531486
[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)thian-4-yl]methanamine
CID 115559326
1-[4-(aminomethyl)thian-4-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465045
[4-(4,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine
CID 62938084
(3-methoxy-1-thiomorpholin-4-ylcyclohexyl)methanamine
CID 106872149
[3-(3,4-dimethoxypyrrolidin-1-yl)thian-3-yl]methanamine
CID 103531803
[1-(2,6-dimethylmorpholin-4-yl)-3-methoxycyclobutyl]methanamine
CID 106821672
[1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine
CID 102965147
[4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thian-4-yl]methanamine
CID 79175214
[4-(4,4-diethylpiperidin-1-yl)thian-4-yl]methanamine
CID 63156835
[4-(3-methoxypyrrolidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 103531579

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyazetidin-1-yl)thian-4-yl]methanamine?
The IUPAC name of [4-(3-methoxyazetidin-1-yl)thian-4-yl]methanamine (CID 130546873) is [4-(3-methoxyazetidin-1-yl)thian-4-yl]methanamine.
What is the SMILES notation for [4-(3-methoxyazetidin-1-yl)thian-4-yl]methanamine?
The canonical SMILES for [4-(3-methoxyazetidin-1-yl)thian-4-yl]methanamine is COC1CN(C2(CN)CCSCC2)C1.
What is the InChIKey of [4-(3-methoxyazetidin-1-yl)thian-4-yl]methanamine?
The InChIKey is SXSWJROYCNKMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-13-9-6-12(7-9)10(8-11)2-4-14-5-3-10/h9H,2-8,11H2,1H3.
What are the key properties of [4-(3-methoxyazetidin-1-yl)thian-4-yl]methanamine?
[4-(3-methoxyazetidin-1-yl)thian-4-yl]methanamine has a molecular weight of 216.35 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyazetidin-1-yl)thian-4-yl]methanamine is sourced from PubChem (CID 130546873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).