N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-2-ylpropan-2-amine

C14H24N2O2S2 — CID 79611861

IUPACN-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-2-ylpropan-2-amine
SMILESCNC(Cc1cccs1)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H24N2O2S2/c1-15-13(10-14-6-4-8-19-14)9-12-5-3-7-16(11-12)20(2,17)18/h4,6,8,12-13,15H,3,5,7,9-11H2,1-2H3
InChIKeyPIRSCHSGMAJRGB-UHFFFAOYSA-N
MW316.49 g/mol
LogP1.94
Rot. Bonds6

About N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-2-ylpropan-2-amine

N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-2-ylpropan-2-amine (PubChem CID 79611861) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-2-ylpropan-2-amine
PubChem CID79611861
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC NameN-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-2-ylpropan-2-amine
SMILESCNC(Cc1cccs1)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H24N2O2S2/c1-15-13(10-14-6-4-8-19-14)9-12-5-3-7-16(11-12)20(2,17)18/h4,6,8,12-13,15H,3,5,7,9-11H2,1-2H3
InChIKeyPIRSCHSGMAJRGB-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-phenylpropan-2-amine
CID 79609569
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-3-ylpropan-2-amine
CID 105166920
2-(1-methylsulfonylpiperidin-3-yl)-1-thiophen-2-ylethanol
CID 79612108
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
4-ethoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105166964
1-ethoxy-N-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79622286
N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-3-ylpropan-2-amine
CID 105166948
1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 103168696
1-(3-chlorophenyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609321
2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine
CID 79610284
1-(furan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79610493

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-2-ylpropan-2-amine (CID 79611861) is N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-2-ylpropan-2-amine is CNC(Cc1cccs1)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-2-ylpropan-2-amine?
The InChIKey is PIRSCHSGMAJRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-15-13(10-14-6-4-8-19-14)9-12-5-3-7-16(11-12)20(2,17)18/h4,6,8,12-13,15H,3,5,7,9-11H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-2-ylpropan-2-amine?
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-2-ylpropan-2-amine has a molecular weight of 316.49 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 79611861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).