1-(1-methylpiperidin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine

C13H26N2S — CID 80723156

IUPAC1-(1-methylpiperidin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
SMILESCN1CCCCC1CNCC1(C)CCCS1
InChIInChI=1S/C13H26N2S/c1-13(7-5-9-16-13)11-14-10-12-6-3-4-8-15(12)2/h12,14H,3-11H2,1-2H3
InChIKeyXUVAOUCGYLDHFB-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.35
Rot. Bonds4

About 1-(1-methylpiperidin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine

1-(1-methylpiperidin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine (PubChem CID 80723156) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 1-(1-methylpiperidin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-methylpiperidin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
PubChem CID80723156
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name1-(1-methylpiperidin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
SMILESCN1CCCCC1CNCC1(C)CCCS1
InChIInChI=1S/C13H26N2S/c1-13(7-5-9-16-13)11-14-10-12-6-3-4-8-15(12)2/h12,14H,3-11H2,1-2H3
InChIKeyXUVAOUCGYLDHFB-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 81419235
N-[(2-methylthiolan-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 80726376
4-[[(1-methylpiperidin-2-yl)methylamino]methyl]oxan-4-ol
CID 81130255
2,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
CID 64570270
[(2S)-1-methylpiperidin-2-yl]methylhydrazine
CID 45087985
N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 82684324
1-methyl-N-[(2-methylthiolan-2-yl)methyl]azetidin-3-amine
CID 130727910
tert-butyl N-[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclobutyl]carbamate
CID 107243370
N,N,2,2-tetramethyl-N'-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine
CID 62654671
1-(2-methylcyclopentyl)-N-[(1-methylpiperidin-2-yl)methyl]methanamine
CID 107417066
N-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide
CID 80528490
2,2-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
CID 103460559

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The IUPAC name of 1-(1-methylpiperidin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine (CID 80723156) is 1-(1-methylpiperidin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-methylpiperidin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1-methylpiperidin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine is CN1CCCCC1CNCC1(C)CCCS1.
What is the InChIKey of 1-(1-methylpiperidin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The InChIKey is XUVAOUCGYLDHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-13(7-5-9-16-13)11-14-10-12-6-3-4-8-15(12)2/h12,14H,3-11H2,1-2H3.
What are the key properties of 1-(1-methylpiperidin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
1-(1-methylpiperidin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine has a molecular weight of 242.43 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine is sourced from PubChem (CID 80723156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).