[1-(5-methylthiolan-3-yl)piperidin-4-yl]methanamine

C11H22N2S — CID 79949423

IUPAC[1-(5-methylthiolan-3-yl)piperidin-4-yl]methanamine
SMILESCC1CC(N2CCC(CN)CC2)CS1
InChIInChI=1S/C11H22N2S/c1-9-6-11(8-14-9)13-4-2-10(7-12)3-5-13/h9-11H,2-8,12H2,1H3
InChIKeyJLIIMTMGBONOJF-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.55
Rot. Bonds2

About [1-(5-methylthiolan-3-yl)piperidin-4-yl]methanamine

[1-(5-methylthiolan-3-yl)piperidin-4-yl]methanamine (PubChem CID 79949423) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is [1-(5-methylthiolan-3-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(5-methylthiolan-3-yl)piperidin-4-yl]methanamine
PubChem CID79949423
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name[1-(5-methylthiolan-3-yl)piperidin-4-yl]methanamine
SMILESCC1CC(N2CCC(CN)CC2)CS1
InChIInChI=1S/C11H22N2S/c1-9-6-11(8-14-9)13-4-2-10(7-12)3-5-13/h9-11H,2-8,12H2,1H3
InChIKeyJLIIMTMGBONOJF-UHFFFAOYSA-N
XLogP1.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methylthiolan-3-yl)piperidin-4-amine
CID 79950607
[1-(thian-3-yl)piperidin-4-yl]methanamine
CID 62873474
[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine;hydrochloride
CID 171394437
[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]methanamine
CID 112682529
(2-methylthian-4-yl)methanamine
CID 83905002
[1-(1-methylazepan-4-yl)piperidin-4-yl]methanamine
CID 65075116
3-[1-(5-methylthiolan-3-yl)piperidin-3-yl]propanoic acid
CID 79949355
[1-(4-propylcycloheptyl)piperidin-4-yl]methanamine
CID 65088785
1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ylmethanamine
CID 82412322
ethane;(1-methylpiperidin-4-yl)methanamine
CID 91043349
[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 43373551
3-amino-1-(5-methylthiolan-3-yl)piperidin-2-one
CID 131062299

Frequently Asked Questions

What is the IUPAC name of [1-(5-methylthiolan-3-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(5-methylthiolan-3-yl)piperidin-4-yl]methanamine (CID 79949423) is [1-(5-methylthiolan-3-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(5-methylthiolan-3-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(5-methylthiolan-3-yl)piperidin-4-yl]methanamine is CC1CC(N2CCC(CN)CC2)CS1.
What is the InChIKey of [1-(5-methylthiolan-3-yl)piperidin-4-yl]methanamine?
The InChIKey is JLIIMTMGBONOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-9-6-11(8-14-9)13-4-2-10(7-12)3-5-13/h9-11H,2-8,12H2,1H3.
What are the key properties of [1-(5-methylthiolan-3-yl)piperidin-4-yl]methanamine?
[1-(5-methylthiolan-3-yl)piperidin-4-yl]methanamine has a molecular weight of 214.38 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methylthiolan-3-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 79949423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).