[3-[4-(methoxymethyl)piperidin-1-yl]-2-methylthian-3-yl]methanamine

C14H28N2OS — CID 79951432

IUPAC[3-[4-(methoxymethyl)piperidin-1-yl]-2-methylthian-3-yl]methanamine
SMILESCOCC1CCN(C2(CN)CCCSC2C)CC1
InChIInChI=1S/C14H28N2OS/c1-12-14(11-15,6-3-9-18-12)16-7-4-13(5-8-16)10-17-2/h12-13H,3-11,15H2,1-2H3
InChIKeyUOYLTAPFNZQJAO-UHFFFAOYSA-N
MW272.46 g/mol
LogP1.96
Rot. Bonds4

About [3-[4-(methoxymethyl)piperidin-1-yl]-2-methylthian-3-yl]methanamine

[3-[4-(methoxymethyl)piperidin-1-yl]-2-methylthian-3-yl]methanamine (PubChem CID 79951432) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is [3-[4-(methoxymethyl)piperidin-1-yl]-2-methylthian-3-yl]methanamine.

Molecular Properties

Compound Name[3-[4-(methoxymethyl)piperidin-1-yl]-2-methylthian-3-yl]methanamine
PubChem CID79951432
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name[3-[4-(methoxymethyl)piperidin-1-yl]-2-methylthian-3-yl]methanamine
SMILESCOCC1CCN(C2(CN)CCCSC2C)CC1
InChIInChI=1S/C14H28N2OS/c1-12-14(11-15,6-3-9-18-12)16-7-4-13(5-8-16)10-17-2/h12-13H,3-11,15H2,1-2H3
InChIKeyUOYLTAPFNZQJAO-UHFFFAOYSA-N
XLogP1.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-ethylazepan-1-yl)-2-methylthian-3-yl]methanamine
CID 79951737
1-[3-(aminomethyl)-2-methylthian-3-yl]-N,N-diethylpyrrolidin-3-amine
CID 79951028
[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
[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylthian-3-yl]methanamine
CID 79952514
[2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)thian-3-yl]methanamine
CID 79951129
[3-(2,2-dimethylmorpholin-4-yl)-2-methylthian-3-yl]methanamine
CID 79957164
[3-(4-cyclopropylpiperazin-1-yl)-2-methylthiolan-3-yl]methanamine
CID 114080123
[8-[4-(methoxymethyl)piperidin-1-yl]spiro[4.5]decan-8-yl]methanamine
CID 114818158
[1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylcyclopentyl]methanamine
CID 79857920
[3-(2-ethylazepan-1-yl)-2-methylthian-3-yl]methanamine
CID 104689394
[1-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanamine
CID 64569292
[3-(3-ethoxypiperidin-1-yl)-2-methylthiolan-3-yl]methanamine
CID 114080128

Frequently Asked Questions

What is the IUPAC name of [3-[4-(methoxymethyl)piperidin-1-yl]-2-methylthian-3-yl]methanamine?
The IUPAC name of [3-[4-(methoxymethyl)piperidin-1-yl]-2-methylthian-3-yl]methanamine (CID 79951432) is [3-[4-(methoxymethyl)piperidin-1-yl]-2-methylthian-3-yl]methanamine.
What is the SMILES notation for [3-[4-(methoxymethyl)piperidin-1-yl]-2-methylthian-3-yl]methanamine?
The canonical SMILES for [3-[4-(methoxymethyl)piperidin-1-yl]-2-methylthian-3-yl]methanamine is COCC1CCN(C2(CN)CCCSC2C)CC1.
What is the InChIKey of [3-[4-(methoxymethyl)piperidin-1-yl]-2-methylthian-3-yl]methanamine?
The InChIKey is UOYLTAPFNZQJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-12-14(11-15,6-3-9-18-12)16-7-4-13(5-8-16)10-17-2/h12-13H,3-11,15H2,1-2H3.
What are the key properties of [3-[4-(methoxymethyl)piperidin-1-yl]-2-methylthian-3-yl]methanamine?
[3-[4-(methoxymethyl)piperidin-1-yl]-2-methylthian-3-yl]methanamine has a molecular weight of 272.46 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(methoxymethyl)piperidin-1-yl]-2-methylthian-3-yl]methanamine is sourced from PubChem (CID 79951432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).