N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

C16H32N3O3S+ — CID 4690278

IUPACN-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCC1CCCC(C)[NH+]1CCNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H31N3O3S/c1-13-5-4-6-14(2)19(13)12-9-17-16(20)15-7-10-18(11-8-15)23(3,21)22/h13-15H,4-12H2,1-3H3,(H,17,20)/p+1
InChIKeyNTDSVURDGHNGRU-UHFFFAOYSA-O
MW346.52 g/mol
LogP-0.38
Rot. Bonds5

About N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 4690278) has the molecular formula C16H32N3O3S+ and a molecular weight of 346.52 g/mol. Its IUPAC name is N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID4690278
Molecular FormulaC16H32N3O3S+
Molecular Weight346.52 g/mol
Exact Mass346.22
IUPAC NameN-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCC1CCCC(C)[NH+]1CCNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H31N3O3S/c1-13-5-4-6-14(2)19(13)12-9-17-16(20)15-7-10-18(11-8-15)23(3,21)22/h13-15H,4-12H2,1-3H3,(H,17,20)/p+1
InChIKeyNTDSVURDGHNGRU-UHFFFAOYSA-O
XLogP-0.38
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide 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-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 6941835
1-methylsulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-4-carboxamide
CID 3653413
ethane;1-methylsulfonyl-N-[6-(propan-2-ylamino)hexyl]piperidine-4-carboxamide
CID 170709349
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 53278198
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 94119856
N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 94119857
N-[2-(2-methylprop-2-enoxy)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 115699662
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 19332404
2,2-dimethyl-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 81367181
N-[(4-ethylcyclohexyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 48861702
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 3687178
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110292609

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 4690278) is N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is CC1CCCC(C)[NH+]1CCNC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is NTDSVURDGHNGRU-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H31N3O3S/c1-13-5-4-6-14(2)19(13)12-9-17-16(20)15-7-10-18(11-8-15)23(3,21)22/h13-15H,4-12H2,1-3H3,(H,17,20)/p+1.
What are the key properties of N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 346.52 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4690278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).