2-methyl-N-[[1-(methylsulfonylmethylsulfonyl)piperidin-3-yl]methyl]propan-1-amine

C12H26N2O4S2 — CID 82843502

IUPAC2-methyl-N-[[1-(methylsulfonylmethylsulfonyl)piperidin-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCCN(S(=O)(=O)CS(C)(=O)=O)C1
InChIInChI=1S/C12H26N2O4S2/c1-11(2)7-13-8-12-5-4-6-14(9-12)20(17,18)10-19(3,15)16/h11-13H,4-10H2,1-3H3
InChIKeyAERQCCZLDHBFMC-UHFFFAOYSA-N
MW326.48 g/mol
LogP0.28
Rot. Bonds7

About 2-methyl-N-[[1-(methylsulfonylmethylsulfonyl)piperidin-3-yl]methyl]propan-1-amine

2-methyl-N-[[1-(methylsulfonylmethylsulfonyl)piperidin-3-yl]methyl]propan-1-amine (PubChem CID 82843502) has the molecular formula C12H26N2O4S2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-methyl-N-[[1-(methylsulfonylmethylsulfonyl)piperidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(methylsulfonylmethylsulfonyl)piperidin-3-yl]methyl]propan-1-amine
PubChem CID82843502
Molecular FormulaC12H26N2O4S2
Molecular Weight326.48 g/mol
Exact Mass326.13
IUPAC Name2-methyl-N-[[1-(methylsulfonylmethylsulfonyl)piperidin-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCCN(S(=O)(=O)CS(C)(=O)=O)C1
InChIInChI=1S/C12H26N2O4S2/c1-11(2)7-13-8-12-5-4-6-14(9-12)20(17,18)10-19(3,15)16/h11-13H,4-10H2,1-3H3
InChIKeyAERQCCZLDHBFMC-UHFFFAOYSA-N
XLogP0.28
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[1-(methylsulfonylmethylsulfonyl)piperidin-3-yl]methyl]propan-1-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-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide
CID 114813108
N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide
CID 63878251
2-methyl-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-1-amine
CID 63878590
7-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]octan-1-amine
CID 107814961
N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
CID 114816829
3-methyl-4-[(1-methylsulfonylpiperidin-3-yl)methylamino]butan-1-ol
CID 79613327
N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63878751
2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine
CID 63878573
3-methyl-N-(2-methylpropyl)-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine
CID 79619752
2-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62591662
1-(methylsulfonylmethylsulfonyl)piperidine-3-carbaldehyde
CID 82842702
3-bromo-1-(methylsulfonylmethylsulfonyl)piperidine
CID 82842490

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(methylsulfonylmethylsulfonyl)piperidin-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(methylsulfonylmethylsulfonyl)piperidin-3-yl]methyl]propan-1-amine (CID 82843502) is 2-methyl-N-[[1-(methylsulfonylmethylsulfonyl)piperidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(methylsulfonylmethylsulfonyl)piperidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(methylsulfonylmethylsulfonyl)piperidin-3-yl]methyl]propan-1-amine is CC(C)CNCC1CCCN(S(=O)(=O)CS(C)(=O)=O)C1.
What is the InChIKey of 2-methyl-N-[[1-(methylsulfonylmethylsulfonyl)piperidin-3-yl]methyl]propan-1-amine?
The InChIKey is AERQCCZLDHBFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S2/c1-11(2)7-13-8-12-5-4-6-14(9-12)20(17,18)10-19(3,15)16/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(methylsulfonylmethylsulfonyl)piperidin-3-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(methylsulfonylmethylsulfonyl)piperidin-3-yl]methyl]propan-1-amine has a molecular weight of 326.48 g/mol, XLogP of 0.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(methylsulfonylmethylsulfonyl)piperidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 82843502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).