2-methyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine

C13H28N2O2S — CID 64643789

IUPAC2-methyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(C(C)CS(C)(=O)=O)C(C)C1
InChIInChI=1S/C13H28N2O2S/c1-5-7-14-13-6-8-15(11(2)9-13)12(3)10-18(4,16)17/h11-14H,5-10H2,1-4H3
InChIKeyMDSGLHBDJIGLIY-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.27
Rot. Bonds6

About 2-methyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine

2-methyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine (PubChem CID 64643789) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 2-methyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name2-methyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine
PubChem CID64643789
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name2-methyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(C(C)CS(C)(=O)=O)C(C)C1
InChIInChI=1S/C13H28N2O2S/c1-5-7-14-13-6-8-15(11(2)9-13)12(3)10-18(4,16)17/h11-14H,5-10H2,1-4H3
InChIKeyMDSGLHBDJIGLIY-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine
CID 79407079
9-(1-methylsulfonylpropan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 64642499
N-ethyl-1-heptan-2-yl-2-methylpiperidin-4-amine
CID 54976387
N-ethyl-2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)piperidin-4-amine
CID 79406765
2-methyl-N-propyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperidin-4-amine
CID 79358560
1,2-dimethyl-N-(2-methylsulfonylethyl)piperidin-4-amine
CID 81332995
1-(1-methylsulfonylpropan-2-yl)-3-(propylamino)piperidin-2-one
CID 64641741
1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine
CID 55173688
N-ethyl-2-methyl-1-(1-phenylpropan-2-yl)piperidin-4-amine
CID 55150861
2-methyl-1-[(4-methylcyclohexyl)methyl]-N-propylpiperidin-4-amine
CID 63243811
N-ethyl-1-hexan-3-yl-2-methylpiperidin-4-amine
CID 62117082
1-(2,2-dimethylcyclopentyl)-2-methyl-N-propylpiperidin-4-amine
CID 79869905

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine?
The IUPAC name of 2-methyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine (CID 64643789) is 2-methyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 2-methyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine?
The canonical SMILES for 2-methyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine is CCCNC1CCN(C(C)CS(C)(=O)=O)C(C)C1.
What is the InChIKey of 2-methyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine?
The InChIKey is MDSGLHBDJIGLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-5-7-14-13-6-8-15(11(2)9-13)12(3)10-18(4,16)17/h11-14H,5-10H2,1-4H3.
What are the key properties of 2-methyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine?
2-methyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine has a molecular weight of 276.45 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 64643789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).