N-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide;hydrochloride

C9H22ClN3O2S — CID 119915689

IUPACN-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCCN1CCCC(CN)C1.Cl
InChIInChI=1S/C9H21N3O2S.ClH/c1-15(13,14)11-4-6-12-5-2-3-9(7-10)8-12;/h9,11H,2-8,10H2,1H3;1H
InChIKeyJRFJWGSOJZBTTC-UHFFFAOYSA-N
MW271.81 g/mol
LogP-0.37
Rot. Bonds5

About N-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide;hydrochloride

N-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide;hydrochloride (PubChem CID 119915689) has the molecular formula C9H22ClN3O2S and a molecular weight of 271.81 g/mol. Its IUPAC name is N-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide;hydrochloride
PubChem CID119915689
Molecular FormulaC9H22ClN3O2S
Molecular Weight271.81 g/mol
Exact Mass271.11
IUPAC NameN-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCCN1CCCC(CN)C1.Cl
InChIInChI=1S/C9H21N3O2S.ClH/c1-15(13,14)11-4-6-12-5-2-3-9(7-10)8-12;/h9,11H,2-8,10H2,1H3;1H
InChIKeyJRFJWGSOJZBTTC-UHFFFAOYSA-N
XLogP-0.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-aminopiperidin-1-yl)ethyl]methanesulfonamide;hydrochloride
CID 119910084
2-[3-(aminomethyl)piperidin-1-yl]ethanesulfonamide
CID 114385443
3-(aminomethyl)-N-(2-piperidin-1-ylethyl)piperidine-1-sulfonamide
CID 106049657
N-[2-[(3S)-3-methylsulfanylazepan-1-yl]ethyl]methanesulfonamide
CID 97238803
N-[2-(3-methylsulfanylazepan-1-yl)ethyl]methanesulfonamide
CID 84591017
2-[3-(aminomethyl)piperidin-1-yl]ethanethiol
CID 84655015
[(3R)-1-ethylpiperidin-3-yl]methanamine
CID 7200431
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918136
[1-(3-fluoropropyl)piperidin-3-yl]methanamine
CID 81107283
N-[2-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]ethyl]methanesulfonamide
CID 97238808
3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 60962395
N-[2-[3-(methylamino)piperidin-1-yl]ethyl]ethanesulfonamide;hydrochloride
CID 119920149

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide;hydrochloride (CID 119915689) is N-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide;hydrochloride is CS(=O)(=O)NCCN1CCCC(CN)C1.Cl.
What is the InChIKey of N-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide;hydrochloride?
The InChIKey is JRFJWGSOJZBTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S.ClH/c1-15(13,14)11-4-6-12-5-2-3-9(7-10)8-12;/h9,11H,2-8,10H2,1H3;1H.
What are the key properties of N-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide;hydrochloride?
N-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide;hydrochloride has a molecular weight of 271.81 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 119915689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).