2-[3-(aminomethyl)piperidin-1-yl]ethanesulfonamide

C8H19N3O2S — CID 114385443

IUPAC2-[3-(aminomethyl)piperidin-1-yl]ethanesulfonamide
SMILESNCC1CCCN(CCS(N)(=O)=O)C1
InChIInChI=1S/C8H19N3O2S/c9-6-8-2-1-3-11(7-8)4-5-14(10,12)13/h8H,1-7,9H2,(H2,10,12,13)
InChIKeyABMQMHSUHQLEOT-UHFFFAOYSA-N
MW221.33 g/mol
LogP-1.05
Rot. Bonds4

About 2-[3-(aminomethyl)piperidin-1-yl]ethanesulfonamide

2-[3-(aminomethyl)piperidin-1-yl]ethanesulfonamide (PubChem CID 114385443) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-[3-(aminomethyl)piperidin-1-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)piperidin-1-yl]ethanesulfonamide
PubChem CID114385443
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name2-[3-(aminomethyl)piperidin-1-yl]ethanesulfonamide
SMILESNCC1CCCN(CCS(N)(=O)=O)C1
InChIInChI=1S/C8H19N3O2S/c9-6-8-2-1-3-11(7-8)4-5-14(10,12)13/h8H,1-7,9H2,(H2,10,12,13)
InChIKeyABMQMHSUHQLEOT-UHFFFAOYSA-N
XLogP-1.05
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethylpiperidin-1-yl)propane-1-sulfonamide
CID 115608712
2-[3-(aminomethyl)piperidin-1-yl]ethanethiol
CID 84655015
N-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide;hydrochloride
CID 119915689
[1-(3-fluoropropyl)piperidin-3-yl]methanamine
CID 81107283
[(3R)-1-ethylpiperidin-3-yl]methanamine
CID 7200431
[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methanamine
CID 42253697
2-[2-(aminomethyl)pyrrolidin-1-yl]ethanesulfonamide
CID 114385518
3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 60962395
3-[(4-methylpiperidin-1-yl)methyl]-1-(2-methylsulfonylethyl)piperidine
CID 122132509
[1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanamine
CID 156595342
[1-(4-methoxybutyl)piperidin-3-yl]methanamine
CID 112702061
[(3R)-1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 7219815

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)piperidin-1-yl]ethanesulfonamide?
The IUPAC name of 2-[3-(aminomethyl)piperidin-1-yl]ethanesulfonamide (CID 114385443) is 2-[3-(aminomethyl)piperidin-1-yl]ethanesulfonamide.
What is the SMILES notation for 2-[3-(aminomethyl)piperidin-1-yl]ethanesulfonamide?
The canonical SMILES for 2-[3-(aminomethyl)piperidin-1-yl]ethanesulfonamide is NCC1CCCN(CCS(N)(=O)=O)C1.
What is the InChIKey of 2-[3-(aminomethyl)piperidin-1-yl]ethanesulfonamide?
The InChIKey is ABMQMHSUHQLEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c9-6-8-2-1-3-11(7-8)4-5-14(10,12)13/h8H,1-7,9H2,(H2,10,12,13).
What are the key properties of 2-[3-(aminomethyl)piperidin-1-yl]ethanesulfonamide?
2-[3-(aminomethyl)piperidin-1-yl]ethanesulfonamide has a molecular weight of 221.33 g/mol, XLogP of -1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)piperidin-1-yl]ethanesulfonamide is sourced from PubChem (CID 114385443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).