[1-(2-tert-butylsulfonylethyl)-6-methylpiperidin-2-yl]methanamine

C13H28N2O2S — CID 106725692

IUPAC[1-(2-tert-butylsulfonylethyl)-6-methylpiperidin-2-yl]methanamine
SMILESCC1CCCC(CN)N1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C13H28N2O2S/c1-11-6-5-7-12(10-14)15(11)8-9-18(16,17)13(2,3)4/h11-12H,5-10,14H2,1-4H3
InChIKeyPXLYMIDIBQEVBI-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.40
Rot. Bonds4

About [1-(2-tert-butylsulfonylethyl)-6-methylpiperidin-2-yl]methanamine

[1-(2-tert-butylsulfonylethyl)-6-methylpiperidin-2-yl]methanamine (PubChem CID 106725692) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is [1-(2-tert-butylsulfonylethyl)-6-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2-tert-butylsulfonylethyl)-6-methylpiperidin-2-yl]methanamine
PubChem CID106725692
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name[1-(2-tert-butylsulfonylethyl)-6-methylpiperidin-2-yl]methanamine
SMILESCC1CCCC(CN)N1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C13H28N2O2S/c1-11-6-5-7-12(10-14)15(11)8-9-18(16,17)13(2,3)4/h11-12H,5-10,14H2,1-4H3
InChIKeyPXLYMIDIBQEVBI-UHFFFAOYSA-N
XLogP1.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(2-tert-butylsulfonylethyl)-6-methylpiperidin-2-yl]methanamine 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

[1-(3,3-dimethylbutyl)-6-methylpiperidin-2-yl]methanamine
CID 63555053
[6-methyl-1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine
CID 64565715
(1-heptyl-6-methylpiperidin-2-yl)methanamine
CID 63554513
1-(2-tert-butylsulfonylethyl)-2,6-dimethylpiperazine
CID 103815489
methyl 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-hydroxy-2-methylpropanoate
CID 113436609
3-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]pentan-3-ol
CID 114496475
2-(aminomethyl)-N-cyclopropyl-6-methylpiperidine-1-sulfonamide
CID 114810836
N-[[1-(2-tert-butylsulfonylethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 106725778
[4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethylsulfonyl]phenyl]methanamine
CID 104967051
1-(2-tert-butylsulfonylethyl)-2-(chloromethyl)azepane
CID 106731384
3-[2-(aminomethyl)-6-methylpiperidin-1-yl]propane-1,2-diol
CID 82849763
(1-tert-butylsulfonylpyrrolidin-2-yl)methanamine
CID 63767722

Frequently Asked Questions

What is the IUPAC name of [1-(2-tert-butylsulfonylethyl)-6-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(2-tert-butylsulfonylethyl)-6-methylpiperidin-2-yl]methanamine (CID 106725692) is [1-(2-tert-butylsulfonylethyl)-6-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(2-tert-butylsulfonylethyl)-6-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(2-tert-butylsulfonylethyl)-6-methylpiperidin-2-yl]methanamine is CC1CCCC(CN)N1CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of [1-(2-tert-butylsulfonylethyl)-6-methylpiperidin-2-yl]methanamine?
The InChIKey is PXLYMIDIBQEVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-11-6-5-7-12(10-14)15(11)8-9-18(16,17)13(2,3)4/h11-12H,5-10,14H2,1-4H3.
What are the key properties of [1-(2-tert-butylsulfonylethyl)-6-methylpiperidin-2-yl]methanamine?
[1-(2-tert-butylsulfonylethyl)-6-methylpiperidin-2-yl]methanamine has a molecular weight of 276.45 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-tert-butylsulfonylethyl)-6-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 106725692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).