N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide

C13H28N4O2S — CID 43119817

IUPACN-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NC2(CN)CCN(C)CC2)C1
InChIInChI=1S/C13H28N4O2S/c1-12-4-3-7-17(10-12)20(18,19)15-13(11-14)5-8-16(2)9-6-13/h12,15H,3-11,14H2,1-2H3
InChIKeyRUMMMVLFJGBQIS-UHFFFAOYSA-N
MW304.46 g/mol
LogP-0.02
Rot. Bonds4

About N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide

N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide (PubChem CID 43119817) has the molecular formula C13H28N4O2S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide
PubChem CID43119817
Molecular FormulaC13H28N4O2S
Molecular Weight304.46 g/mol
Exact Mass304.19
IUPAC NameN-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NC2(CN)CCN(C)CC2)C1
InChIInChI=1S/C13H28N4O2S/c1-12-4-3-7-17(10-12)20(18,19)15-13(11-14)5-8-16(2)9-6-13/h12,15H,3-11,14H2,1-2H3
InChIKeyRUMMMVLFJGBQIS-UHFFFAOYSA-N
XLogP-0.02
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide 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

2-(4-Piperidylmethyl)-5-methyltetrahydro-1,2,6-thiadiazine-1,1-dioxide
CID 20434894
2-Ethyl-6-(2-piperidin-4-ylethyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 20434898
5-Methyl-2-(2-piperidin-4-ylethyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 20434910
2-(1-Piperidin-4-ylpropyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 20434924
2-(1-Piperidin-4-ylethyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 20434930
2-(2-Piperidin-4-ylpropyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 20434933
(3R)-3-methyl-N-piperidin-4-ylpiperidine-1-sulfonamide
CID 28787873
1-[4-(2-Methylpropyl)-1-methylsulfonylpiperidin-4-yl]piperazine
CID 59639418
4-[(4-aminopiperidin-1-yl)methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 69831695
(3R)-N,3-dimethyl-N-piperidin-4-ylpiperidine-1-sulfonamide
CID 132248277
1-Tert-butyl-4-[(sulfamoylamino)methyl]piperidine
CID 175903631
1-(4-Methylpiperidin-1-yl)sulfonylpiperidin-4-amine
CID 28783157

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide (CID 43119817) is N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)NC2(CN)CCN(C)CC2)C1.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide?
The InChIKey is RUMMMVLFJGBQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2S/c1-12-4-3-7-17(10-12)20(18,19)15-13(11-14)5-8-16(2)9-6-13/h12,15H,3-11,14H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide?
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide has a molecular weight of 304.46 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43119817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).