[3-(3-ethoxypiperidin-1-yl)-2-methylthiolan-3-yl]methanamine

C13H26N2OS — CID 114080128

IUPAC[3-(3-ethoxypiperidin-1-yl)-2-methylthiolan-3-yl]methanamine
SMILESCCOC1CCCN(C2(CN)CCSC2C)C1
InChIInChI=1S/C13H26N2OS/c1-3-16-12-5-4-7-15(9-12)13(10-14)6-8-17-11(13)2/h11-12H,3-10,14H2,1-2H3
InChIKeyLXMWNUXCQRKJCS-UHFFFAOYSA-N
MW258.43 g/mol
LogP1.71
Rot. Bonds4

About [3-(3-ethoxypiperidin-1-yl)-2-methylthiolan-3-yl]methanamine

[3-(3-ethoxypiperidin-1-yl)-2-methylthiolan-3-yl]methanamine (PubChem CID 114080128) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is [3-(3-ethoxypiperidin-1-yl)-2-methylthiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3-ethoxypiperidin-1-yl)-2-methylthiolan-3-yl]methanamine
PubChem CID114080128
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name[3-(3-ethoxypiperidin-1-yl)-2-methylthiolan-3-yl]methanamine
SMILESCCOC1CCCN(C2(CN)CCSC2C)C1
InChIInChI=1S/C13H26N2OS/c1-3-16-12-5-4-7-15(9-12)13(10-14)6-8-17-11(13)2/h11-12H,3-10,14H2,1-2H3
InChIKeyLXMWNUXCQRKJCS-UHFFFAOYSA-N
XLogP1.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(aminomethyl)-2-methylthiolan-3-yl]-N,N-dimethylpiperidin-3-amine
CID 114080155
[1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine
CID 103562756
[3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methylthian-3-yl]methanamine
CID 79952030
[1-(3-ethoxypiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 62707704
[3-(4-ethylazepan-1-yl)-2-methylthian-3-yl]methanamine
CID 79951737
[3-(4-cyclopropylpiperazin-1-yl)-2-methylthiolan-3-yl]methanamine
CID 114080123
[1-(3-ethoxypiperidin-1-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine
CID 115999067
1-[3-(aminomethyl)-2-methylthian-3-yl]-N,N-diethylpyrrolidin-3-amine
CID 79951028
[3-(3-ethoxypiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine
CID 81468396
[2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)thian-3-yl]methanamine
CID 79951129
[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylthian-3-yl]methanamine
CID 79952514
[1-(4-ethoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine
CID 61218986

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethoxypiperidin-1-yl)-2-methylthiolan-3-yl]methanamine?
The IUPAC name of [3-(3-ethoxypiperidin-1-yl)-2-methylthiolan-3-yl]methanamine (CID 114080128) is [3-(3-ethoxypiperidin-1-yl)-2-methylthiolan-3-yl]methanamine.
What is the SMILES notation for [3-(3-ethoxypiperidin-1-yl)-2-methylthiolan-3-yl]methanamine?
The canonical SMILES for [3-(3-ethoxypiperidin-1-yl)-2-methylthiolan-3-yl]methanamine is CCOC1CCCN(C2(CN)CCSC2C)C1.
What is the InChIKey of [3-(3-ethoxypiperidin-1-yl)-2-methylthiolan-3-yl]methanamine?
The InChIKey is LXMWNUXCQRKJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-3-16-12-5-4-7-15(9-12)13(10-14)6-8-17-11(13)2/h11-12H,3-10,14H2,1-2H3.
What are the key properties of [3-(3-ethoxypiperidin-1-yl)-2-methylthiolan-3-yl]methanamine?
[3-(3-ethoxypiperidin-1-yl)-2-methylthiolan-3-yl]methanamine has a molecular weight of 258.43 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethoxypiperidin-1-yl)-2-methylthiolan-3-yl]methanamine is sourced from PubChem (CID 114080128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).