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

C13H26N2O2S — CID 79622029

IUPACN-methyl-1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCNC(CC1CCCN(S(C)(=O)=O)C1)C1CC1C
InChIInChI=1S/C13H26N2O2S/c1-10-7-12(10)13(14-2)8-11-5-4-6-15(9-11)18(3,16)17/h10-14H,4-9H2,1-3H3
InChIKeyCRIOTVOFZQHAAD-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.29
Rot. Bonds5

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

N-methyl-1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (PubChem CID 79622029) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-methyl-1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
PubChem CID79622029
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-methyl-1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCNC(CC1CCCN(S(C)(=O)=O)C1)C1CC1C
InChIInChI=1S/C13H26N2O2S/c1-10-7-12(10)13(14-2)8-11-5-4-6-15(9-11)18(3,16)17/h10-14H,4-9H2,1-3H3
InChIKeyCRIOTVOFZQHAAD-UHFFFAOYSA-N
XLogP1.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-1-amine
CID 79622196
N-methyl-1-(4-methylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79612143
N-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethanamine
CID 80627676
[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-ethyl-1-(3-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011091
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
[2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethyl]hydrazine
CID 105255803
1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609568
4-ethoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105166964
3-methoxy-N,4-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
CID 116720079

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The IUPAC name of N-methyl-1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (CID 79622029) is N-methyl-1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The canonical SMILES for N-methyl-1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is CNC(CC1CCCN(S(C)(=O)=O)C1)C1CC1C.
What is the InChIKey of N-methyl-1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The InChIKey is CRIOTVOFZQHAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-10-7-12(10)13(14-2)8-11-5-4-6-15(9-11)18(3,16)17/h10-14H,4-9H2,1-3H3.
What are the key properties of N-methyl-1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
N-methyl-1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine has a molecular weight of 274.43 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 79622029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).