N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonylpropan-2-amine

C13H28N2O2S — CID 64631728

IUPACN-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCCCN1CCCCC1C
InChIInChI=1S/C13H28N2O2S/c1-12(11-18(3,16)17)14-8-6-10-15-9-5-4-7-13(15)2/h12-14H,4-11H2,1-3H3
InChIKeyBSBKYDAJRRYCEU-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.27
Rot. Bonds7

About N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonylpropan-2-amine

N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonylpropan-2-amine (PubChem CID 64631728) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonylpropan-2-amine
PubChem CID64631728
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCCCN1CCCCC1C
InChIInChI=1S/C13H28N2O2S/c1-12(11-18(3,16)17)14-8-6-10-15-9-5-4-7-13(15)2/h12-14H,4-11H2,1-3H3
InChIKeyBSBKYDAJRRYCEU-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonylpropan-2-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

3-(2-methylpiperidin-1-yl)-N-(3-methylsulfonylpropyl)propan-1-amine
CID 63190466
1-dodecyl-2-methylpiperidine;methanesulfonic acid
CID 175583651
2-[3-(2-methylpiperidin-1-yl)propylamino]-1-piperidin-1-ylpropan-1-one
CID 43085200
N,N-dimethyl-2-[3-(2-methylpiperidin-1-yl)propylamino]propanamide
CID 43086437
1-(azepan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-2-amine
CID 79541130
3-(2-methylpiperidin-1-yl)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 106723029
2-[3-(2-methylpiperidin-1-yl)propylamino]-N-pentan-2-ylpropanamide
CID 43113637
N-[2-(2-methylpiperidin-1-yl)ethyl]hex-5-en-2-amine
CID 104581801
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexanamine
CID 43178283
methyl 2-cyclopropyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetate
CID 103233428
1-heptyl-2-methylpyrrolidine;methanesulfonic acid
CID 175584058
3-(2-methylpiperidin-1-yl)propane-1-sulfonyl chloride
CID 102548986

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonylpropan-2-amine (CID 64631728) is N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonylpropan-2-amine is CC(CS(C)(=O)=O)NCCCN1CCCCC1C.
What is the InChIKey of N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is BSBKYDAJRRYCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-12(11-18(3,16)17)14-8-6-10-15-9-5-4-7-13(15)2/h12-14H,4-11H2,1-3H3.
What are the key properties of N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonylpropan-2-amine?
N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 276.45 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 64631728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).