3-(aminomethyl)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-sulfonamide

C14H30N4O2S — CID 106053544

IUPAC3-(aminomethyl)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
SMILESCCN1CCC(CNS(=O)(=O)N2CCCC(CN)C2)CC1
InChIInChI=1S/C14H30N4O2S/c1-2-17-8-5-13(6-9-17)11-16-21(19,20)18-7-3-4-14(10-15)12-18/h13-14,16H,2-12,15H2,1H3
InChIKeyFXQXRELARPNTTC-UHFFFAOYSA-N
MW318.49 g/mol
LogP0.22
Rot. Bonds6

About 3-(aminomethyl)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-sulfonamide

3-(aminomethyl)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-sulfonamide (PubChem CID 106053544) has the molecular formula C14H30N4O2S and a molecular weight of 318.49 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
PubChem CID106053544
Molecular FormulaC14H30N4O2S
Molecular Weight318.49 g/mol
Exact Mass318.21
IUPAC Name3-(aminomethyl)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
SMILESCCN1CCC(CNS(=O)(=O)N2CCCC(CN)C2)CC1
InChIInChI=1S/C14H30N4O2S/c1-2-17-8-5-13(6-9-17)11-16-21(19,20)18-7-3-4-14(10-15)12-18/h13-14,16H,2-12,15H2,1H3
InChIKeyFXQXRELARPNTTC-UHFFFAOYSA-N
XLogP0.22
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(aminomethyl)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-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

4-(aminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-sulfonamide
CID 106050486
3-(aminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide
CID 114141669
3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide
CID 106034394
3-(aminomethyl)-N-(2-piperidin-1-ylethyl)piperidine-1-sulfonamide
CID 106049657
3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide
CID 106063540
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]piperidine-1-sulfonamide
CID 106040996
3-(methylaminomethyl)-N-[(4-methylcyclohexyl)methyl]piperidine-1-sulfonamide
CID 106062375
3-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide
CID 106052802
4-(aminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106052859
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918136
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide
CID 131950598
[(3R)-1-ethylpiperidin-3-yl]methanamine
CID 7200431

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-sulfonamide (CID 106053544) is 3-(aminomethyl)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-sulfonamide is CCN1CCC(CNS(=O)(=O)N2CCCC(CN)C2)CC1.
What is the InChIKey of 3-(aminomethyl)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is FXQXRELARPNTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2S/c1-2-17-8-5-13(6-9-17)11-16-21(19,20)18-7-3-4-14(10-15)12-18/h13-14,16H,2-12,15H2,1H3.
What are the key properties of 3-(aminomethyl)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-sulfonamide?
3-(aminomethyl)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 318.49 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106053544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).