N-[2-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide;hydrochloride

C13H23ClN4O3S2 — CID 119727540

IUPACN-[2-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCCC1CCCCN1C(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C13H22N4O3S2.ClH/c1-22(19,20)15-6-5-10-4-2-3-7-17(10)13(18)11-9-21-12(8-14)16-11;/h9-10,15H,2-8,14H2,1H3;1H
InChIKeyPPLYXSAKPAHZOW-UHFFFAOYSA-N
MW382.94 g/mol
LogP0.96
Rot. Bonds6

About N-[2-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide;hydrochloride

N-[2-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide;hydrochloride (PubChem CID 119727540) has the molecular formula C13H23ClN4O3S2 and a molecular weight of 382.94 g/mol. Its IUPAC name is N-[2-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide;hydrochloride
PubChem CID119727540
Molecular FormulaC13H23ClN4O3S2
Molecular Weight382.94 g/mol
Exact Mass382.09
IUPAC NameN-[2-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCCC1CCCCN1C(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C13H22N4O3S2.ClH/c1-22(19,20)15-6-5-10-4-2-3-7-17(10)13(18)11-9-21-12(8-14)16-11;/h9-10,15H,2-8,14H2,1H3;1H
InChIKeyPPLYXSAKPAHZOW-UHFFFAOYSA-N
XLogP0.96
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.94
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide;hydrochloride 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-(aminomethyl)-1,3-thiazol-4-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 66378378
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119865871
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 66376624
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119860070
(2S)-1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 66381598
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119686916
N-[[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 66375528
N-[2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 87047179
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride
CID 120634912
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120624999
N-[2-[(2R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 92632029
N-[2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 92634332

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[2-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide;hydrochloride (CID 119727540) is N-[2-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide;hydrochloride is CS(=O)(=O)NCCC1CCCCN1C(=O)c1csc(CN)n1.Cl.
What is the InChIKey of N-[2-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide;hydrochloride?
The InChIKey is PPLYXSAKPAHZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S2.ClH/c1-22(19,20)15-6-5-10-4-2-3-7-17(10)13(18)11-9-21-12(8-14)16-11;/h9-10,15H,2-8,14H2,1H3;1H.
What are the key properties of N-[2-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide;hydrochloride?
N-[2-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide;hydrochloride has a molecular weight of 382.94 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 119727540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).