[4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine

C13H27N3O2S — CID 114960821

IUPAC[4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine
SMILESCC1CCN(S(=O)(=O)N2CCC(C)C(CN)C2)CC1
InChIInChI=1S/C13H27N3O2S/c1-11-3-6-15(7-4-11)19(17,18)16-8-5-12(2)13(9-14)10-16/h11-13H,3-10,14H2,1-2H3
InChIKeyJCGHGLRIZHWQQA-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.88
Rot. Bonds3

About [4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine

[4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine (PubChem CID 114960821) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is [4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine
PubChem CID114960821
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC Name[4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine
SMILESCC1CCN(S(=O)(=O)N2CCC(C)C(CN)C2)CC1
InChIInChI=1S/C13H27N3O2S/c1-11-3-6-15(7-4-11)19(17,18)16-8-5-12(2)13(9-14)10-16/h11-13H,3-10,14H2,1-2H3
InChIKeyJCGHGLRIZHWQQA-UHFFFAOYSA-N
XLogP0.88
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-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

3-(aminomethyl)-N,4-dimethylpiperidine-1-sulfonamide
CID 114960837
(3S)-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine
CID 94340323
4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120585482
[1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960902
1-(4-methylpiperidin-1-yl)sulfonylazetidin-3-amine
CID 63765450
3-ethyl-N-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-amine
CID 114507280
[1-(4-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960912
[1-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine
CID 102971478
[1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960772
1-(4-methylpiperidin-1-yl)sulfonylazocane
CID 176961547
(4-methyl-1-thiophen-2-ylsulfonylpiperidin-3-yl)methanamine
CID 114960944
[4-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-yl]methanamine
CID 114960919

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine?
The IUPAC name of [4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine (CID 114960821) is [4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine?
The canonical SMILES for [4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine is CC1CCN(S(=O)(=O)N2CCC(C)C(CN)C2)CC1.
What is the InChIKey of [4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine?
The InChIKey is JCGHGLRIZHWQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-11-3-6-15(7-4-11)19(17,18)16-8-5-12(2)13(9-14)10-16/h11-13H,3-10,14H2,1-2H3.
What are the key properties of [4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine?
[4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine has a molecular weight of 289.44 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114960821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).