N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-2-ylmethanesulfonamide

C14H29N3O2S — CID 107164552

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-2-ylmethanesulfonamide
SMILESCN1CCC(C)(CNS(=O)(=O)CC2CCCCN2)CC1
InChIInChI=1S/C14H29N3O2S/c1-14(6-9-17(2)10-7-14)12-16-20(18,19)11-13-5-3-4-8-15-13/h13,15-16H,3-12H2,1-2H3
InChIKeyLZKOBPOZZZLTPF-UHFFFAOYSA-N
MW303.47 g/mol
LogP0.78
Rot. Bonds5

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-2-ylmethanesulfonamide

N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-2-ylmethanesulfonamide (PubChem CID 107164552) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-2-ylmethanesulfonamide
PubChem CID107164552
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-2-ylmethanesulfonamide
SMILESCN1CCC(C)(CNS(=O)(=O)CC2CCCCN2)CC1
InChIInChI=1S/C14H29N3O2S/c1-14(6-9-17(2)10-7-14)12-16-20(18,19)11-13-5-3-4-8-15-13/h13,15-16H,3-12H2,1-2H3
InChIKeyLZKOBPOZZZLTPF-UHFFFAOYSA-N
XLogP0.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-2-ylmethanesulfonamide 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

N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 107164560
N-(1-methylpiperidin-4-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54973820
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 107163245
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 105419192
N-(1-methylpiperidin-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972072
N-(1-methylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 64688259
1-pyrrolidin-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanesulfonamide
CID 79350234
N-(2,2-dimethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 79878932
N-methyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 94233927
N-(1-methylpyrazol-3-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54974228
N-(2-methoxypropyl)-1-piperidin-2-ylmethanesulfonamide
CID 102699220
N-(2,2-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 79879019

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-2-ylmethanesulfonamide?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-2-ylmethanesulfonamide (CID 107164552) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-2-ylmethanesulfonamide?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-2-ylmethanesulfonamide is CN1CCC(C)(CNS(=O)(=O)CC2CCCCN2)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-2-ylmethanesulfonamide?
The InChIKey is LZKOBPOZZZLTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-14(6-9-17(2)10-7-14)12-16-20(18,19)11-13-5-3-4-8-15-13/h13,15-16H,3-12H2,1-2H3.
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-2-ylmethanesulfonamide?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-2-ylmethanesulfonamide has a molecular weight of 303.47 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-2-ylmethanesulfonamide is sourced from PubChem (CID 107164552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).