[3-(3-methoxypyrrolidin-1-yl)thiolan-3-yl]methanamine

C10H20N2OS — CID 103531486

IUPAC[3-(3-methoxypyrrolidin-1-yl)thiolan-3-yl]methanamine
SMILESCOC1CCN(C2(CN)CCSC2)C1
InChIInChI=1S/C10H20N2OS/c1-13-9-2-4-12(6-9)10(7-11)3-5-14-8-10/h9H,2-8,11H2,1H3
InChIKeyMNUUHVKXZWTBRO-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.54
Rot. Bonds3

About [3-(3-methoxypyrrolidin-1-yl)thiolan-3-yl]methanamine

[3-(3-methoxypyrrolidin-1-yl)thiolan-3-yl]methanamine (PubChem CID 103531486) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is [3-(3-methoxypyrrolidin-1-yl)thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3-methoxypyrrolidin-1-yl)thiolan-3-yl]methanamine
PubChem CID103531486
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name[3-(3-methoxypyrrolidin-1-yl)thiolan-3-yl]methanamine
SMILESCOC1CCN(C2(CN)CCSC2)C1
InChIInChI=1S/C10H20N2OS/c1-13-9-2-4-12(6-9)10(7-11)3-5-14-8-10/h9H,2-8,11H2,1H3
InChIKeyMNUUHVKXZWTBRO-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

[4-(3-methoxyazetidin-1-yl)thian-4-yl]methanamine
CID 130546873
[3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine
CID 79175489
[4-(3-methoxypyrrolidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 103531579
[3-(2-methylmorpholin-4-yl)thiolan-3-yl]methanamine
CID 24697033
1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63165977
[3-(3,4-dimethoxypyrrolidin-1-yl)thian-3-yl]methanamine
CID 103531803
[3-(azepan-1-yl)thiolan-3-yl]methanamine
CID 24710395
[3-(4-ethylpiperazin-1-yl)thiolan-3-yl]methanamine
CID 24697068
[3-(4,4-diethylpiperidin-1-yl)thiolan-3-yl]methanamine
CID 55165075
[1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine
CID 102965147
[3-(4-ethylpiperidin-1-yl)thian-3-yl]methanamine
CID 62872027
[4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thian-4-yl]methanamine
CID 79175214

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxypyrrolidin-1-yl)thiolan-3-yl]methanamine?
The IUPAC name of [3-(3-methoxypyrrolidin-1-yl)thiolan-3-yl]methanamine (CID 103531486) is [3-(3-methoxypyrrolidin-1-yl)thiolan-3-yl]methanamine.
What is the SMILES notation for [3-(3-methoxypyrrolidin-1-yl)thiolan-3-yl]methanamine?
The canonical SMILES for [3-(3-methoxypyrrolidin-1-yl)thiolan-3-yl]methanamine is COC1CCN(C2(CN)CCSC2)C1.
What is the InChIKey of [3-(3-methoxypyrrolidin-1-yl)thiolan-3-yl]methanamine?
The InChIKey is MNUUHVKXZWTBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-13-9-2-4-12(6-9)10(7-11)3-5-14-8-10/h9H,2-8,11H2,1H3.
What are the key properties of [3-(3-methoxypyrrolidin-1-yl)thiolan-3-yl]methanamine?
[3-(3-methoxypyrrolidin-1-yl)thiolan-3-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 [3-(3-methoxypyrrolidin-1-yl)thiolan-3-yl]methanamine is sourced from PubChem (CID 103531486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).