4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-3-amine

C13H27N3O2S — CID 79612398

IUPAC4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-3-amine
SMILESCC1CCN(CC2CCCN(S(C)(=O)=O)C2)CC1N
InChIInChI=1S/C13H27N3O2S/c1-11-5-7-15(10-13(11)14)8-12-4-3-6-16(9-12)19(2,17)18/h11-13H,3-10,14H2,1-2H3
InChIKeyAULOTFIEIVYXJY-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.33
Rot. Bonds3

About 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-3-amine

4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-3-amine (PubChem CID 79612398) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-3-amine
PubChem CID79612398
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC Name4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-3-amine
SMILESCC1CCN(CC2CCCN(S(C)(=O)=O)C2)CC1N
InChIInChI=1S/C13H27N3O2S/c1-11-5-7-15(10-13(11)14)8-12-4-3-6-16(9-12)19(2,17)18/h11-13H,3-10,14H2,1-2H3
InChIKeyAULOTFIEIVYXJY-UHFFFAOYSA-N
XLogP0.33
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine
CID 79605027
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119908997
(3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol
CID 113249309
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918136
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidine-3-carboxylic acid
CID 79612897
3,5-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine;hydrochloride
CID 119924247
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]azetidin-3-yl]methanol
CID 79622641
3-[[4-(1-bromoethyl)piperidin-1-yl]methyl]-1-methylsulfonylpiperidine
CID 106838284
3-[[4-(1-chloroethyl)piperidin-1-yl]methyl]-1-methylsulfonylpiperidine
CID 106838056
2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine
CID 81014911
1-(2-chloroethyl)-4-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine
CID 79622215
[3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119926264

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-3-amine?
The IUPAC name of 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-3-amine (CID 79612398) is 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-3-amine?
The canonical SMILES for 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-3-amine is CC1CCN(CC2CCCN(S(C)(=O)=O)C2)CC1N.
What is the InChIKey of 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-3-amine?
The InChIKey is AULOTFIEIVYXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-11-5-7-15(10-13(11)14)8-12-4-3-6-16(9-12)19(2,17)18/h11-13H,3-10,14H2,1-2H3.
What are the key properties of 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-3-amine?
4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-3-amine has a molecular weight of 289.44 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 79612398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).