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

C13H28N4O2S — CID 106050486

IUPAC4-(aminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-sulfonamide
SMILESCN1CCCC(CNS(=O)(=O)N2CCC(CN)CC2)C1
InChIInChI=1S/C13H28N4O2S/c1-16-6-2-3-13(11-16)10-15-20(18,19)17-7-4-12(9-14)5-8-17/h12-13,15H,2-11,14H2,1H3
InChIKeySEWDEMAJTQDELZ-UHFFFAOYSA-N
MW304.46 g/mol
LogP-0.17
Rot. Bonds5

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

4-(aminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-sulfonamide (PubChem CID 106050486) has the molecular formula C13H28N4O2S and a molecular weight of 304.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-sulfonamide
PubChem CID106050486
Molecular FormulaC13H28N4O2S
Molecular Weight304.46 g/mol
Exact Mass304.19
IUPAC Name4-(aminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-sulfonamide
SMILESCN1CCCC(CNS(=O)(=O)N2CCC(CN)CC2)C1
InChIInChI=1S/C13H28N4O2S/c1-16-6-2-3-13(11-16)10-15-20(18,19)17-7-4-12(9-14)5-8-17/h12-13,15H,2-11,14H2,1H3
InChIKeySEWDEMAJTQDELZ-UHFFFAOYSA-N
XLogP-0.17
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106052859
3-(aminomethyl)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106053544
1-[(1-methylpyrrolidin-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 60859573
1-chloro-N-[(1-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 63666439
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 95204803
N-(cyclopentylmethyl)-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106026641
4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106016881
4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
CID 114140369
4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide
CID 107818664
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
4-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]piperidine-1-sulfonamide
CID 106062465
4-(aminomethyl)-N-(2,3,3-trimethylbutyl)piperidine-1-sulfonamide
CID 83147300

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-sulfonamide (CID 106050486) is 4-(aminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-sulfonamide is CN1CCCC(CNS(=O)(=O)N2CCC(CN)CC2)C1.
What is the InChIKey of 4-(aminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is SEWDEMAJTQDELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2S/c1-16-6-2-3-13(11-16)10-15-20(18,19)17-7-4-12(9-14)5-8-17/h12-13,15H,2-11,14H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-sulfonamide?
4-(aminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 304.46 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106050486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).