N-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethanamine

C14H28N2O2S2 — CID 80627676

IUPACN-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethanamine
SMILESCNC(CC1CCCN(S(C)(=O)=O)C1)C1CCCCS1
InChIInChI=1S/C14H28N2O2S2/c1-15-13(14-7-3-4-9-19-14)10-12-6-5-8-16(11-12)20(2,17)18/h12-15H,3-11H2,1-2H3
InChIKeyTTYIYFKOLSSZNL-UHFFFAOYSA-N
MW320.52 g/mol
LogP1.92
Rot. Bonds5

About N-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethanamine

N-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethanamine (PubChem CID 80627676) has the molecular formula C14H28N2O2S2 and a molecular weight of 320.52 g/mol. Its IUPAC name is N-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethanamine
PubChem CID80627676
Molecular FormulaC14H28N2O2S2
Molecular Weight320.52 g/mol
Exact Mass320.16
IUPAC NameN-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethanamine
SMILESCNC(CC1CCCN(S(C)(=O)=O)C1)C1CCCCS1
InChIInChI=1S/C14H28N2O2S2/c1-15-13(14-7-3-4-9-19-14)10-12-6-5-8-16(11-12)20(2,17)18/h12-15H,3-11H2,1-2H3
InChIKeyTTYIYFKOLSSZNL-UHFFFAOYSA-N
XLogP1.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethyl]hydrazine
CID 105255803
N-methyl-1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79622029
N-methyl-1-(4-methylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79612143
2-cyclopentyl-N-methyl-1-(thian-2-yl)ethanamine
CID 80626908
[1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322801
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611003
N-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79612431
N-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-amine
CID 79610239
1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609568
1-(1-methylsulfonylpiperidin-3-yl)-3-(thian-4-yl)propan-2-amine
CID 105166960
3-methoxy-N,4-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
CID 116720079
4-ethoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105166964

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethanamine (CID 80627676) is N-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethanamine is CNC(CC1CCCN(S(C)(=O)=O)C1)C1CCCCS1.
What is the InChIKey of N-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethanamine?
The InChIKey is TTYIYFKOLSSZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S2/c1-15-13(14-7-3-4-9-19-14)10-12-6-5-8-16(11-12)20(2,17)18/h12-15H,3-11H2,1-2H3.
What are the key properties of N-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethanamine?
N-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethanamine has a molecular weight of 320.52 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethanamine is sourced from PubChem (CID 80627676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).