N-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-amine

C13H28N2O2S — CID 79610239

IUPACN-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-amine
SMILESCCC(CC1CCCN(S(C)(=O)=O)C1)C(C)NC
InChIInChI=1S/C13H28N2O2S/c1-5-13(11(2)14-3)9-12-7-6-8-15(10-12)18(4,16)17/h11-14H,5-10H2,1-4H3
InChIKeyARSRSSJLJFYECL-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.68
Rot. Bonds6

About N-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-amine

N-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-amine (PubChem CID 79610239) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-amine.

Molecular Properties

Compound NameN-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-amine
PubChem CID79610239
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-amine
SMILESCCC(CC1CCCN(S(C)(=O)=O)C1)C(C)NC
InChIInChI=1S/C13H28N2O2S/c1-5-13(11(2)14-3)9-12-7-6-8-15(10-12)18(4,16)17/h11-14H,5-10H2,1-4H3
InChIKeyARSRSSJLJFYECL-UHFFFAOYSA-N
XLogP1.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611003
N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79611008
3-methyl-N-(2-methylpropyl)-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine
CID 79619752
N-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79612431
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
1-ethoxy-N-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79622286
N-methyl-6-(1-methylsulfonylpiperidin-3-yl)hexan-3-amine
CID 79622916
N-methyl-1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79622029
3-ethyl-3-methoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
CID 116760948
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-amine?
The IUPAC name of N-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-amine (CID 79610239) is N-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-amine.
What is the SMILES notation for N-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-amine?
The canonical SMILES for N-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-amine is CCC(CC1CCCN(S(C)(=O)=O)C1)C(C)NC.
What is the InChIKey of N-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-amine?
The InChIKey is ARSRSSJLJFYECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-5-13(11(2)14-3)9-12-7-6-8-15(10-12)18(4,16)17/h11-14H,5-10H2,1-4H3.
What are the key properties of N-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-amine?
N-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-amine has a molecular weight of 276.45 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-amine is sourced from PubChem (CID 79610239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).